iterations/neb0_image09_iter54_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209689341891E+04 0.20969E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142942581188E+03 -0.22398E+04 -0.21498E+04 2160 0.262E+02
DAV: 3 -0.466438183228E+03 -0.32350E+03 -0.32018E+03 1832 0.108E+02
DAV: 4 -0.479207133367E+03 -0.12769E+02 -0.12719E+02 1968 0.227E+01
DAV: 5 -0.479667160667E+03 -0.46003E+00 -0.45979E+00 2112 0.380E+00 0.427E+01
DAV: 6 -0.447167456261E+03 0.32500E+02 -0.14245E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449090464528E+03 -0.19230E+01 -0.75212E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446262570077E+03 0.28279E+01 -0.81943E+00 2416 0.798E+00 0.859E+00
DAV: 9 -0.446824503263E+03 -0.56193E+00 -0.14784E+01 1896 0.392E+00 0.486E+00
DAV: 10 -0.446015101729E+03 0.80940E+00 -0.64948E-01 2184 0.388E+00 0.335E+00
DAV: 11 -0.446144052745E+03 -0.12895E+00 -0.25779E+00 1928 0.166E+00 0.417E+00
DAV: 12 -0.446015034025E+03 0.12902E+00 -0.20095E+00 2024 0.131E+00 0.300E+00
DAV: 13 -0.446043311916E+03 -0.28278E-01 -0.14338E+00 2136 0.913E-01 0.329E+00
DAV: 14 -0.445969277949E+03 0.74034E-01 -0.45505E-01 1992 0.653E-01 0.549E-01
DAV: 15 -0.445977039972E+03 -0.77620E-02 -0.15210E-02 1920 0.246E-01 0.450E-01
DAV: 16 -0.445977437200E+03 -0.39723E-03 -0.55922E-03 1888 0.139E-01 0.136E-01
DAV: 17 -0.445979421009E+03 -0.19838E-02 -0.15728E-03 1912 0.842E-02 0.719E-02
DAV: 18 -0.445982978882E+03 -0.35579E-02 -0.61632E-03 2024 0.766E-02 0.438E-01
DAV: 19 -0.445984831774E+03 -0.18529E-02 -0.13608E-02 2224 0.126E-01 0.397E-01
DAV: 20 -0.445985642638E+03 -0.81086E-03 -0.13900E-03 1864 0.633E-02 0.444E-02
DAV: 21 -0.445986836291E+03 -0.11937E-02 -0.47814E-04 1808 0.472E-02 0.264E-02
DAV: 22 -0.445987311307E+03 -0.47502E-03 -0.19575E-04 1856 0.284E-02 0.765E-02
DAV: 23 -0.445987511263E+03 -0.19996E-03 -0.67052E-05 1520 0.175E-02 0.218E-02
DAV: 24 -0.445987695269E+03 -0.18401E-03 -0.65646E-05 1720 0.185E-02 0.136E-02
DAV: 25 -0.445987817922E+03 -0.12265E-03 -0.11247E-05 1168 0.874E-03 0.216E-02
DAV: 26 -0.445987883715E+03 -0.65793E-04 -0.93272E-06 1104 0.637E-03 0.760E-03
DAV: 27 -0.445987906704E+03 -0.22989E-04 -0.41914E-06 936 0.413E-03 0.107E-02
DAV: 28 -0.445987944913E+03 -0.38209E-04 -0.55679E-06 1064 0.503E-03 0.769E-03
DAV: 29 -0.445987954777E+03 -0.98640E-05 -0.10481E-06 936 0.248E-03
1 F= -.44598795E+03 E0= -.44596176E+03 d E =-.785904E-01