iterations/neb0_image04_iter21_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 0.209120026885E+04 0.20912E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140455656454E+03 -0.22317E+04 -0.21406E+04 2136 0.262E+02
DAV: 3 -0.465877052340E+03 -0.32542E+03 -0.32199E+03 1872 0.107E+02
DAV: 4 -0.478110575384E+03 -0.12234E+02 -0.12181E+02 1944 0.222E+01
DAV: 5 -0.478579391597E+03 -0.46882E+00 -0.46857E+00 2152 0.380E+00 0.429E+01
DAV: 6 -0.447691651750E+03 0.30888E+02 -0.14674E+02 2024 0.317E+01 0.383E+01
DAV: 7 -0.454119640682E+03 -0.64280E+01 -0.25888E+02 1920 0.141E+01 0.210E+01
DAV: 8 -0.448029030481E+03 0.60906E+01 -0.90967E+00 1808 0.789E+00 0.128E+01
DAV: 9 -0.445719452270E+03 0.23096E+01 -0.22231E+01 1992 0.120E+01 0.959E+00
DAV: 10 -0.444924809386E+03 0.79464E+00 -0.39571E+00 1888 0.364E+00 0.992E+00
DAV: 11 -0.444217645242E+03 0.70716E+00 -0.12076E+00 1904 0.226E+00 0.603E+00
DAV: 12 -0.444583375853E+03 -0.36573E+00 -0.10988E+01 2176 0.340E+00 0.705E+00
DAV: 13 -0.444391203362E+03 0.19217E+00 -0.39203E+00 2112 0.309E+00 0.108E+01
DAV: 14 -0.444128610473E+03 0.26259E+00 -0.26062E-01 1840 0.838E-01 0.953E+00
DAV: 15 -0.443928609703E+03 0.20000E+00 -0.43886E-02 2040 0.437E-01 0.820E+00
DAV: 16 -0.443763377126E+03 0.16523E+00 -0.19288E+00 2080 0.140E+00 0.469E+00
DAV: 17 -0.443785441601E+03 -0.22064E-01 -0.43434E-01 1952 0.822E-01 0.167E+00
DAV: 18 -0.443870693696E+03 -0.85252E-01 -0.99008E-02 1768 0.348E-01 0.260E+00
DAV: 19 -0.443862933359E+03 0.77603E-02 -0.22603E-01 2320 0.513E-01 0.151E+00
DAV: 20 -0.443880757244E+03 -0.17824E-01 -0.95371E-02 1768 0.392E-01 0.113E+00
DAV: 21 -0.443877938160E+03 0.28191E-02 -0.12239E-02 1960 0.237E-01 0.973E-01
DAV: 22 -0.443877348450E+03 0.58971E-03 -0.55386E-02 1920 0.222E-01 0.609E-01
DAV: 23 -0.443880717407E+03 -0.33690E-02 -0.42985E-03 1848 0.112E-01 0.286E-01
DAV: 24 -0.443883165446E+03 -0.24480E-02 -0.43098E-03 1872 0.854E-02 0.168E-01
DAV: 25 -0.443885146262E+03 -0.19808E-02 -0.10559E-03 1952 0.689E-02 0.224E-01
DAV: 26 -0.443886656900E+03 -0.15106E-02 -0.10427E-03 1992 0.648E-02 0.227E-01
DAV: 27 -0.443887205302E+03 -0.54840E-03 -0.94062E-04 1936 0.506E-02 0.148E-01
DAV: 28 -0.443887347249E+03 -0.14195E-03 -0.19371E-04 1784 0.202E-02 0.108E-01
DAV: 29 -0.443887598228E+03 -0.25098E-03 -0.65443E-05 1712 0.190E-02 0.554E-02
DAV: 30 -0.443887800331E+03 -0.20210E-03 -0.30982E-05 1368 0.133E-02 0.308E-02
DAV: 31 -0.443887896481E+03 -0.96151E-04 -0.10034E-05 1168 0.838E-03 0.290E-02
DAV: 32 -0.443887939044E+03 -0.42563E-04 -0.10348E-05 1088 0.955E-03 0.301E-02
DAV: 33 -0.443887954142E+03 -0.15098E-04 -0.71838E-06 1032 0.494E-03 0.219E-02
DAV: 34 -0.443887957589E+03 -0.34466E-05 -0.76549E-06 936 0.432E-03
1 F= -.44388796E+03 E0= -.44386236E+03 d E =-.767908E-01