iterations/neb0_image04_iter1_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 0.209849275464E+04 0.20985E+04 -0.11615E+05 1704 0.105E+03
DAV: 2 -0.137097404464E+03 -0.22356E+04 -0.21474E+04 2136 0.262E+02
DAV: 3 -0.463895958552E+03 -0.32680E+03 -0.32295E+03 1896 0.108E+02
DAV: 4 -0.476291757179E+03 -0.12396E+02 -0.12350E+02 1944 0.224E+01
DAV: 5 -0.476766223529E+03 -0.47447E+00 -0.47418E+00 2144 0.380E+00 0.435E+01
DAV: 6 -0.445419162895E+03 0.31347E+02 -0.14868E+02 2040 0.320E+01 0.333E+01
DAV: 7 -0.448612583397E+03 -0.31934E+01 -0.82706E+01 1864 0.155E+01 0.185E+01
DAV: 8 -0.442493015328E+03 0.61196E+01 -0.84438E+00 2032 0.111E+01 0.110E+01
DAV: 9 -0.450529460677E+03 -0.80364E+01 -0.53427E+01 2136 0.143E+01 0.343E+01
DAV: 10 -0.442508965502E+03 0.80205E+01 -0.15880E+01 1792 0.462E+00 0.877E+00
DAV: 11 -0.442526941968E+03 -0.17976E-01 -0.71091E+00 1992 0.209E+00 0.132E+01
DAV: 12 -0.441853549335E+03 0.67339E+00 -0.29798E+00 1976 0.112E+00 0.676E+00
DAV: 13 -0.441511765591E+03 0.34178E+00 -0.11555E+00 2032 0.189E+00 0.261E+00
DAV: 14 -0.441800280093E+03 -0.28851E+00 -0.28742E+00 2120 0.185E+00 0.676E+00
DAV: 15 -0.441472749370E+03 0.32753E+00 -0.19757E+00 1912 0.116E+00 0.252E+00
DAV: 16 -0.441523145189E+03 -0.50396E-01 -0.98907E-02 2064 0.742E-01 0.272E+00
DAV: 17 -0.441516703402E+03 0.64418E-02 -0.20767E-01 1912 0.512E-01 0.165E+00
DAV: 18 -0.441521599747E+03 -0.48963E-02 -0.58769E-02 1952 0.241E-01 0.933E-01
DAV: 19 -0.441528192151E+03 -0.65924E-02 -0.14710E-02 1872 0.135E-01 0.385E-01
DAV: 20 -0.441531387124E+03 -0.31950E-02 -0.35359E-03 1992 0.907E-02 0.327E-01
DAV: 21 -0.441535078636E+03 -0.36915E-02 -0.49416E-03 1912 0.962E-02 0.147E-01
DAV: 22 -0.441537081438E+03 -0.20028E-02 -0.13254E-03 2048 0.644E-02 0.197E-01
DAV: 23 -0.441537652637E+03 -0.57120E-03 -0.45127E-04 1928 0.374E-02 0.828E-02
DAV: 24 -0.441540216085E+03 -0.25634E-02 -0.45913E-04 1792 0.392E-02 0.109E-01
DAV: 25 -0.441541659566E+03 -0.14435E-02 -0.71054E-04 1856 0.349E-02 0.468E-02
DAV: 26 -0.441542106860E+03 -0.44729E-03 -0.10333E-04 1784 0.226E-02 0.482E-02
DAV: 27 -0.441542348849E+03 -0.24199E-03 -0.98791E-05 1400 0.149E-02 0.230E-02
DAV: 28 -0.441542589124E+03 -0.24028E-03 -0.45276E-05 1464 0.130E-02 0.319E-02
DAV: 29 -0.441542650169E+03 -0.61045E-04 -0.17046E-05 1152 0.734E-03 0.262E-02
DAV: 30 -0.441542676124E+03 -0.25955E-04 -0.65336E-06 952 0.401E-03 0.165E-02
DAV: 31 -0.441542693742E+03 -0.17618E-04 -0.70536E-06 928 0.358E-03 0.549E-03
DAV: 32 -0.441542717257E+03 -0.23515E-04 -0.23803E-06 1032 0.338E-03 0.280E-03
DAV: 33 -0.441542727564E+03 -0.10308E-04 -0.10978E-06 920 0.228E-03 0.208E-03
DAV: 34 -0.441542732143E+03 -0.45789E-05 -0.53870E-07 912 0.142E-03
1 F= -.44154273E+03 E0= -.44152752E+03 d E =-.456436E-01