iterations/neb0_image03_iter20_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 0.209755079999E+04 0.20976E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137700490893E+03 -0.22353E+04 -0.21460E+04 2152 0.262E+02
DAV: 3 -0.464500524364E+03 -0.32680E+03 -0.32226E+03 1840 0.108E+02
DAV: 4 -0.477449880105E+03 -0.12949E+02 -0.12893E+02 1968 0.229E+01
DAV: 5 -0.477948884885E+03 -0.49900E+00 -0.49877E+00 2128 0.391E+00 0.432E+01
DAV: 6 -0.450887042039E+03 0.27062E+02 -0.14723E+02 2008 0.315E+01 0.411E+01
DAV: 7 -0.454515938398E+03 -0.36289E+01 -0.13972E+02 1800 0.148E+01 0.219E+01
DAV: 8 -0.447983590086E+03 0.65323E+01 -0.96728E+00 1864 0.907E+00 0.136E+01
DAV: 9 -0.446230754262E+03 0.17528E+01 -0.18432E+01 2136 0.118E+01 0.119E+01
DAV: 10 -0.445469509395E+03 0.76124E+00 -0.39311E+00 1872 0.371E+00 0.108E+01
DAV: 11 -0.444872335211E+03 0.59717E+00 -0.43423E-01 2072 0.194E+00 0.975E+00
DAV: 12 -0.444866085715E+03 0.62495E-02 -0.11995E+01 2080 0.398E+00 0.961E+00
DAV: 13 -0.444051669246E+03 0.81442E+00 -0.67698E-01 1976 0.327E+00 0.581E+00
DAV: 14 -0.444042346691E+03 0.93226E-02 -0.34853E+00 1864 0.138E+00 0.727E+00
DAV: 15 -0.443907116263E+03 0.13523E+00 -0.24732E+00 2120 0.111E+00 0.265E+00
DAV: 16 -0.443924072326E+03 -0.16956E-01 -0.32016E-02 1856 0.511E-01 0.551E-01
DAV: 17 -0.443940785615E+03 -0.16713E-01 -0.16036E-02 1936 0.287E-01 0.135E+00
DAV: 18 -0.443936197781E+03 0.45878E-02 -0.60204E-03 2072 0.279E-01 0.909E-01
DAV: 19 -0.443936698842E+03 -0.50106E-03 -0.31754E-03 1848 0.129E-01 0.253E-01
DAV: 20 -0.443940325011E+03 -0.36262E-02 -0.91580E-04 2024 0.790E-02 0.513E-01
DAV: 21 -0.443941959380E+03 -0.16344E-02 -0.86357E-04 1816 0.867E-02 0.324E-01
DAV: 22 -0.443943854245E+03 -0.18949E-02 -0.38686E-04 1872 0.545E-02 0.243E-01
DAV: 23 -0.443944569022E+03 -0.71478E-03 -0.18949E-04 1848 0.312E-02 0.119E-01
DAV: 24 -0.443945594424E+03 -0.10254E-02 -0.90248E-05 1752 0.224E-02 0.422E-02
DAV: 25 -0.443946161567E+03 -0.56714E-03 -0.30925E-05 1432 0.117E-02 0.134E-02
DAV: 26 -0.443946339184E+03 -0.17762E-03 -0.16368E-05 1344 0.122E-02 0.114E-02
DAV: 27 -0.443946443575E+03 -0.10439E-03 -0.23126E-05 1376 0.118E-02 0.960E-03
DAV: 28 -0.443946459284E+03 -0.15709E-04 -0.42793E-06 952 0.783E-03 0.807E-03
DAV: 29 -0.443946479550E+03 -0.20267E-04 -0.64630E-06 1008 0.641E-03 0.129E-02
DAV: 30 -0.443946494769E+03 -0.15219E-04 -0.13485E-06 960 0.322E-03 0.574E-03
DAV: 31 -0.443946506043E+03 -0.11274E-04 -0.91981E-07 944 0.233E-03 0.593E-03
DAV: 32 -0.443946510920E+03 -0.48768E-05 -0.29874E-07 936 0.130E-03
1 F= -.44394651E+03 E0= -.44393211E+03 d E =-.431927E-01