iterations/neb0_image09_iter38_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 0.209736876041E+04 0.20974E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142798359250E+03 -0.22402E+04 -0.21503E+04 2160 0.262E+02
DAV: 3 -0.466461149913E+03 -0.32366E+03 -0.32033E+03 1832 0.108E+02
DAV: 4 -0.479232695830E+03 -0.12772E+02 -0.12722E+02 1968 0.227E+01
DAV: 5 -0.479692547641E+03 -0.45985E+00 -0.45960E+00 2136 0.379E+00 0.428E+01
DAV: 6 -0.447150496815E+03 0.32542E+02 -0.14288E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449029832499E+03 -0.18793E+01 -0.74005E+01 1920 0.111E+01 0.136E+01
DAV: 8 -0.446270099028E+03 0.27597E+01 -0.80529E+00 2456 0.801E+00 0.874E+00
DAV: 9 -0.446834394935E+03 -0.56430E+00 -0.15735E+01 1904 0.401E+00 0.494E+00
DAV: 10 -0.445981059102E+03 0.85334E+00 -0.65214E-01 2128 0.393E+00 0.303E+00
DAV: 11 -0.446072458154E+03 -0.91399E-01 -0.19872E+00 1904 0.159E+00 0.380E+00
DAV: 12 -0.446018786102E+03 0.53672E-01 -0.21727E+00 1984 0.124E+00 0.345E+00
DAV: 13 -0.446063762686E+03 -0.44977E-01 -0.20705E+00 2248 0.105E+00 0.392E+00
DAV: 14 -0.445949544920E+03 0.11422E+00 -0.22428E-01 2000 0.669E-01 0.699E-01
DAV: 15 -0.445955849519E+03 -0.63046E-02 -0.32092E-02 1976 0.291E-01 0.231E-01
DAV: 16 -0.445958368537E+03 -0.25190E-02 -0.35749E-03 1856 0.149E-01 0.107E-01
DAV: 17 -0.445960626376E+03 -0.22578E-02 -0.17163E-03 2032 0.955E-02 0.241E-01
DAV: 18 -0.445962652886E+03 -0.20265E-02 -0.14220E-03 1920 0.706E-02 0.181E-01
DAV: 19 -0.445965261826E+03 -0.26089E-02 -0.16700E-03 2120 0.105E-01 0.257E-01
DAV: 20 -0.445966704437E+03 -0.14426E-02 -0.74917E-04 1848 0.521E-02 0.463E-02
DAV: 21 -0.445967981532E+03 -0.12771E-02 -0.46915E-04 1808 0.454E-02 0.367E-02
DAV: 22 -0.445968571610E+03 -0.59008E-03 -0.22301E-04 1944 0.301E-02 0.135E-01
DAV: 23 -0.445968708778E+03 -0.13717E-03 -0.15977E-04 1688 0.240E-02 0.171E-02
DAV: 24 -0.445968995387E+03 -0.28661E-03 -0.62772E-05 1648 0.174E-02 0.398E-02
DAV: 25 -0.445969157405E+03 -0.16202E-03 -0.47258E-05 1336 0.128E-02 0.409E-02
DAV: 26 -0.445969200810E+03 -0.43405E-04 -0.78946E-06 1080 0.612E-03 0.167E-02
DAV: 27 -0.445969229688E+03 -0.28878E-04 -0.41903E-06 984 0.441E-03 0.443E-03
DAV: 28 -0.445969265841E+03 -0.36153E-04 -0.17177E-06 1032 0.282E-03 0.146E-03
DAV: 29 -0.445969280907E+03 -0.15066E-04 -0.84530E-07 984 0.169E-03 0.245E-03
DAV: 30 -0.445969284295E+03 -0.33877E-05 -0.30071E-07 936 0.143E-03
1 F= -.44596928E+03 E0= -.44594309E+03 d E =-.785932E-01