iterations/neb0_image09_iter42_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 0.209655831372E+04 0.20966E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142639392649E+03 -0.22392E+04 -0.21495E+04 2152 0.262E+02
DAV: 3 -0.466071624982E+03 -0.32343E+03 -0.32004E+03 1824 0.108E+02
DAV: 4 -0.479112489615E+03 -0.13041E+02 -0.12987E+02 1976 0.229E+01
DAV: 5 -0.479583449840E+03 -0.47096E+00 -0.47070E+00 2120 0.382E+00 0.427E+01
DAV: 6 -0.447061397282E+03 0.32522E+02 -0.14272E+02 2008 0.309E+01 0.271E+01
DAV: 7 -0.449050570012E+03 -0.19892E+01 -0.76310E+01 1960 0.111E+01 0.137E+01
DAV: 8 -0.446159843495E+03 0.28907E+01 -0.82589E+00 2456 0.800E+00 0.832E+00
DAV: 9 -0.446693428561E+03 -0.53359E+00 -0.12862E+01 1864 0.379E+00 0.468E+00
DAV: 10 -0.445982780084E+03 0.71065E+00 -0.54892E-01 2040 0.380E+00 0.385E+00
DAV: 11 -0.446116643523E+03 -0.13386E+00 -0.31192E+00 1928 0.175E+00 0.418E+00
DAV: 12 -0.445956736831E+03 0.15991E+00 -0.11326E+00 1976 0.137E+00 0.290E+00
DAV: 13 -0.445994617530E+03 -0.37881E-01 -0.14718E+00 2120 0.954E-01 0.342E+00
DAV: 14 -0.445911637980E+03 0.82980E-01 -0.30322E-01 1928 0.626E-01 0.311E-01
DAV: 15 -0.445922027136E+03 -0.10389E-01 -0.20239E-02 2008 0.273E-01 0.701E-01
DAV: 16 -0.445922941866E+03 -0.91473E-03 -0.38510E-02 1976 0.202E-01 0.567E-01
DAV: 17 -0.445923242969E+03 -0.30110E-03 -0.18540E-02 1888 0.140E-01 0.227E-01
DAV: 18 -0.445925972768E+03 -0.27298E-02 -0.30976E-03 1864 0.781E-02 0.247E-01
DAV: 19 -0.445927719065E+03 -0.17463E-02 -0.23152E-03 2024 0.894E-02 0.145E-01
DAV: 20 -0.445930004709E+03 -0.22856E-02 -0.65047E-04 1824 0.492E-02 0.194E-01
DAV: 21 -0.445930595309E+03 -0.59060E-03 -0.74633E-04 2168 0.536E-02 0.795E-02
DAV: 22 -0.445931055037E+03 -0.45973E-03 -0.20394E-04 1768 0.272E-02 0.222E-02
DAV: 23 -0.445931364999E+03 -0.30996E-03 -0.10658E-04 1584 0.176E-02 0.769E-02
DAV: 24 -0.445931486658E+03 -0.12166E-03 -0.13865E-04 1560 0.200E-02 0.421E-02
DAV: 25 -0.445931595011E+03 -0.10835E-03 -0.22164E-05 1320 0.112E-02 0.217E-02
DAV: 26 -0.445931633920E+03 -0.38909E-04 -0.76046E-06 1000 0.728E-03 0.633E-03
DAV: 27 -0.445931659366E+03 -0.25446E-04 -0.26224E-06 976 0.420E-03 0.909E-03
DAV: 28 -0.445931695004E+03 -0.35638E-04 -0.24406E-06 1056 0.340E-03 0.111E-02
DAV: 29 -0.445931706547E+03 -0.11543E-04 -0.11509E-06 944 0.233E-03 0.293E-03
DAV: 30 -0.445931710928E+03 -0.43809E-05 -0.78683E-07 936 0.215E-03
1 F= -.44593171E+03 E0= -.44590564E+03 d E =-.782005E-01