iterations/neb0_image03_iter14_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 0.209699329074E+04 0.20970E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137734952936E+03 -0.22347E+04 -0.21453E+04 2152 0.262E+02
DAV: 3 -0.464654962068E+03 -0.32692E+03 -0.32280E+03 1856 0.108E+02
DAV: 4 -0.477485453346E+03 -0.12830E+02 -0.12777E+02 1976 0.228E+01
DAV: 5 -0.477973566078E+03 -0.48811E+00 -0.48787E+00 2128 0.386E+00 0.431E+01
DAV: 6 -0.450577310466E+03 0.27396E+02 -0.14740E+02 2008 0.317E+01 0.407E+01
DAV: 7 -0.454322102592E+03 -0.37448E+01 -0.13477E+02 1792 0.149E+01 0.218E+01
DAV: 8 -0.447718395554E+03 0.66037E+01 -0.95550E+00 1856 0.936E+00 0.135E+01
DAV: 9 -0.446075505027E+03 0.16429E+01 -0.18648E+01 2128 0.125E+01 0.120E+01
DAV: 10 -0.445336760122E+03 0.73874E+00 -0.41819E+00 1872 0.371E+00 0.112E+01
DAV: 11 -0.444730143097E+03 0.60662E+00 -0.73999E-01 2104 0.186E+00 0.995E+00
DAV: 12 -0.444174098550E+03 0.55604E+00 -0.69998E+00 2144 0.337E+00 0.914E+00
DAV: 13 -0.444047195615E+03 0.12690E+00 -0.47019E+00 1904 0.297E+00 0.662E+00
DAV: 14 -0.443675765574E+03 0.37143E+00 -0.20228E+00 1888 0.143E+00 0.248E+00
DAV: 15 -0.443692594429E+03 -0.16829E-01 -0.73226E-02 1880 0.584E-01 0.126E+00
DAV: 16 -0.443715007418E+03 -0.22413E-01 -0.24538E-02 1880 0.321E-01 0.266E+00
DAV: 17 -0.443697210344E+03 0.17797E-01 -0.10097E-01 2392 0.546E-01 0.164E+00
DAV: 18 -0.443695095190E+03 0.21152E-02 -0.12961E-02 1864 0.216E-01 0.478E-01
DAV: 19 -0.443701698125E+03 -0.66029E-02 -0.33783E-03 2168 0.124E-01 0.827E-01
DAV: 20 -0.443700516366E+03 0.11818E-02 -0.26537E-03 1960 0.149E-01 0.224E-01
DAV: 21 -0.443708158075E+03 -0.76417E-02 -0.18861E-03 1880 0.103E-01 0.670E-01
DAV: 22 -0.443705345872E+03 0.28122E-02 -0.15387E-03 2152 0.105E-01 0.953E-02
DAV: 23 -0.443709886769E+03 -0.45409E-02 -0.10312E-03 1848 0.612E-02 0.259E-01
DAV: 24 -0.443710445376E+03 -0.55861E-03 -0.46618E-04 1904 0.437E-02 0.137E-01
DAV: 25 -0.443711488380E+03 -0.10430E-02 -0.13034E-04 1760 0.278E-02 0.138E-01
DAV: 26 -0.443711669795E+03 -0.18141E-03 -0.54554E-05 1744 0.160E-02 0.133E-01
DAV: 27 -0.443711727793E+03 -0.57998E-04 -0.38790E-05 1328 0.152E-02 0.244E-02
DAV: 28 -0.443712016131E+03 -0.28834E-03 -0.24361E-05 1400 0.106E-02 0.248E-02
DAV: 29 -0.443712051077E+03 -0.34947E-04 -0.93969E-06 1024 0.594E-03 0.244E-02
DAV: 30 -0.443712093050E+03 -0.41973E-04 -0.43097E-06 1088 0.632E-03 0.128E-02
DAV: 31 -0.443712111235E+03 -0.18185E-04 -0.25551E-06 952 0.354E-03 0.253E-03
DAV: 32 -0.443712120974E+03 -0.97397E-05 -0.58812E-07 936 0.246E-03
1 F= -.44371212E+03 E0= -.44370173E+03 d E =-.311764E-01