iterations/neb0_image06_iter43_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 0.209786107625E+04 0.20979E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137070211677E+03 -0.22349E+04 -0.21462E+04 2128 0.262E+02
DAV: 3 -0.461783267820E+03 -0.32471E+03 -0.32144E+03 1888 0.107E+02
DAV: 4 -0.474365524511E+03 -0.12582E+02 -0.12533E+02 1944 0.226E+01
DAV: 5 -0.474849353257E+03 -0.48383E+00 -0.48329E+00 2200 0.383E+00 0.418E+01
DAV: 6 -0.445525665618E+03 0.29324E+02 -0.12673E+02 2016 0.281E+01 0.247E+01
DAV: 7 -0.445707835557E+03 -0.18217E+00 -0.16102E+01 1744 0.823E+00 0.105E+01
DAV: 8 -0.445196462237E+03 0.51137E+00 -0.18793E+00 2128 0.425E+00 0.450E+00
DAV: 9 -0.445139241600E+03 0.57221E-01 -0.52936E-01 1880 0.169E+00 0.849E-01
DAV: 10 -0.445148991671E+03 -0.97501E-02 -0.13794E-01 2000 0.887E-01 0.516E-01
DAV: 11 -0.445152102184E+03 -0.31105E-02 -0.17809E-02 1968 0.419E-01 0.187E-01
DAV: 12 -0.445155395628E+03 -0.32934E-02 -0.77008E-03 1928 0.203E-01 0.121E-01
DAV: 13 -0.445157102835E+03 -0.17072E-02 -0.16300E-03 2120 0.116E-01 0.597E-02
DAV: 14 -0.445159279003E+03 -0.21762E-02 -0.11014E-03 1976 0.794E-02 0.557E-02
DAV: 15 -0.445161754629E+03 -0.24756E-02 -0.50943E-04 1920 0.599E-02 0.367E-02
DAV: 16 -0.445163680265E+03 -0.19256E-02 -0.69874E-04 1984 0.723E-02 0.309E-02
DAV: 17 -0.445164387269E+03 -0.70700E-03 -0.18491E-04 2024 0.370E-02 0.211E-02
DAV: 18 -0.445164842421E+03 -0.45515E-03 -0.93861E-05 1840 0.221E-02 0.126E-02
DAV: 19 -0.445165103525E+03 -0.26110E-03 -0.38122E-05 1472 0.169E-02 0.771E-03
DAV: 20 -0.445165213832E+03 -0.11031E-03 -0.26427E-05 1592 0.152E-02 0.509E-03
DAV: 21 -0.445165246614E+03 -0.32782E-04 -0.10967E-05 1096 0.886E-03 0.579E-03
DAV: 22 -0.445165290509E+03 -0.43895E-04 -0.63641E-06 1176 0.673E-03 0.327E-03
DAV: 23 -0.445165319538E+03 -0.29029E-04 -0.43715E-06 1144 0.535E-03 0.297E-03
DAV: 24 -0.445165327491E+03 -0.79531E-05 -0.15085E-06 1016 0.372E-03
1 F= -.44516533E+03 E0= -.44516645E+03 d E =0.336138E-02