iterations/neb0_image03_iter6_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 0.209728359874E+04 0.20973E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.136727575638E+03 -0.22340E+04 -0.21447E+04 2144 0.261E+02
DAV: 3 -0.463928983133E+03 -0.32720E+03 -0.32311E+03 1864 0.108E+02
DAV: 4 -0.476910100551E+03 -0.12981E+02 -0.12930E+02 1984 0.228E+01
DAV: 5 -0.477384373340E+03 -0.47427E+00 -0.47404E+00 2124 0.381E+00 0.432E+01
DAV: 6 -0.449226824700E+03 0.28158E+02 -0.14701E+02 2024 0.315E+01 0.411E+01
DAV: 7 -0.454210979712E+03 -0.49842E+01 -0.18873E+02 1816 0.154E+01 0.218E+01
DAV: 8 -0.447847826521E+03 0.63632E+01 -0.98284E+00 1840 0.929E+00 0.136E+01
DAV: 9 -0.445315321172E+03 0.25325E+01 -0.18374E+01 2096 0.122E+01 0.120E+01
DAV: 10 -0.444553885707E+03 0.76144E+00 -0.38303E+00 1904 0.369E+00 0.110E+01
DAV: 11 -0.443906487331E+03 0.64740E+00 -0.42996E-01 2096 0.199E+00 0.101E+01
DAV: 12 -0.444840752516E+03 -0.93427E+00 -0.23576E+01 2168 0.418E+00 0.948E+00
DAV: 13 -0.443231628285E+03 0.16091E+01 -0.68432E-01 2016 0.339E+00 0.228E+00
DAV: 14 -0.443270161114E+03 -0.38533E-01 -0.33623E-01 1848 0.954E-01 0.136E+00
DAV: 15 -0.443326903537E+03 -0.56742E-01 -0.31085E-01 1936 0.838E-01 0.521E+00
DAV: 16 -0.443208792114E+03 0.11811E+00 -0.68037E-01 2016 0.594E-01 0.132E+00
DAV: 17 -0.443320157625E+03 -0.11137E+00 -0.47620E-01 2008 0.446E-01 0.427E+00
DAV: 18 -0.443239726166E+03 0.80431E-01 -0.55729E-01 1976 0.441E-01 0.119E+00
DAV: 19 -0.443274735234E+03 -0.35009E-01 -0.15815E-02 1800 0.214E-01 0.268E-01
DAV: 20 -0.443278403403E+03 -0.36682E-02 -0.45086E-03 1896 0.131E-01 0.528E-01
DAV: 21 -0.443279535325E+03 -0.11319E-02 -0.87692E-03 2160 0.138E-01 0.668E-01
DAV: 22 -0.443279860944E+03 -0.32562E-03 -0.14324E-03 1808 0.780E-02 0.373E-01
DAV: 23 -0.443282116155E+03 -0.22552E-02 -0.73159E-04 1896 0.455E-02 0.972E-02
DAV: 24 -0.443285550049E+03 -0.34339E-02 -0.15882E-03 1952 0.627E-02 0.411E-01
DAV: 25 -0.443284720763E+03 0.82929E-03 -0.42023E-04 1824 0.409E-02 0.190E-01
DAV: 26 -0.443285484091E+03 -0.76333E-03 -0.28725E-04 2000 0.275E-02 0.318E-02
DAV: 27 -0.443286038628E+03 -0.55454E-03 -0.37191E-05 1424 0.158E-02 0.305E-02
DAV: 28 -0.443286197611E+03 -0.15898E-03 -0.26383E-05 1400 0.103E-02 0.304E-02
DAV: 29 -0.443286231157E+03 -0.33546E-04 -0.11287E-05 1080 0.680E-03 0.186E-02
DAV: 30 -0.443286286889E+03 -0.55732E-04 -0.79693E-06 1192 0.631E-03 0.161E-02
DAV: 31 -0.443286295552E+03 -0.86625E-05 -0.20576E-06 936 0.307E-03
1 F= -.44328630E+03 E0= -.44327287E+03 d E =-.402748E-01