iterations/neb0_image01_iter29_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 0.208822757510E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141194638956E+03 -0.22294E+04 -0.21419E+04 2144 0.261E+02
DAV: 3 -0.461895671842E+03 -0.32070E+03 -0.31714E+03 1896 0.107E+02
DAV: 4 -0.475356491529E+03 -0.13461E+02 -0.13236E+02 1976 0.226E+01
DAV: 5 -0.475839775326E+03 -0.48328E+00 -0.48295E+00 2088 0.377E+00 0.435E+01
DAV: 6 -0.458839037753E+03 0.17001E+02 -0.24162E+02 2048 0.319E+01 0.410E+01
DAV: 7 -0.449870524854E+03 0.89685E+01 -0.41493E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445413092273E+03 0.44574E+01 -0.84258E+00 1784 0.712E+00 0.114E+01
DAV: 9 -0.446623281328E+03 -0.12102E+01 -0.26113E+01 2120 0.807E+00 0.100E+01
DAV: 10 -0.446094734207E+03 0.52855E+00 -0.15339E+00 1824 0.227E+00 0.905E+00
DAV: 11 -0.444922464502E+03 0.11723E+01 -0.17621E+00 1968 0.240E+00 0.581E+00
DAV: 12 -0.444774002119E+03 0.14846E+00 -0.60056E+00 2048 0.270E+00 0.123E+01
DAV: 13 -0.444531297433E+03 0.24270E+00 -0.10656E+01 1976 0.240E+00 0.379E+00
DAV: 14 -0.444532581380E+03 -0.12839E-02 -0.12795E-01 1864 0.724E-01 0.348E+00
DAV: 15 -0.444390271957E+03 0.14231E+00 -0.23329E-02 1984 0.534E-01 0.147E+00
DAV: 16 -0.444392194893E+03 -0.19229E-02 -0.15593E-02 1864 0.376E-01 0.649E-01
DAV: 17 -0.444405778999E+03 -0.13584E-01 -0.50881E-02 2032 0.315E-01 0.466E-01
DAV: 18 -0.444412358245E+03 -0.65792E-02 -0.35016E-03 1896 0.145E-01 0.370E-01
DAV: 19 -0.444411759691E+03 0.59855E-03 -0.11387E-03 1944 0.773E-02 0.153E-01
DAV: 20 -0.444412959497E+03 -0.11998E-02 -0.37240E-04 2112 0.512E-02 0.103E-01
DAV: 21 -0.444413940735E+03 -0.98124E-03 -0.11644E-04 1896 0.276E-02 0.104E-01
DAV: 22 -0.444414447573E+03 -0.50684E-03 -0.14551E-04 2096 0.395E-02 0.341E-02
DAV: 23 -0.444414935021E+03 -0.48745E-03 -0.10469E-04 1856 0.249E-02 0.326E-02
DAV: 24 -0.444415449669E+03 -0.51465E-03 -0.33746E-05 1472 0.122E-02 0.388E-02
DAV: 25 -0.444415748559E+03 -0.29889E-03 -0.50068E-05 1688 0.146E-02 0.144E-02
DAV: 26 -0.444415806845E+03 -0.58286E-04 -0.97350E-06 1272 0.854E-03 0.631E-03
DAV: 27 -0.444415835359E+03 -0.28514E-04 -0.24619E-06 968 0.476E-03 0.626E-03
DAV: 28 -0.444415855124E+03 -0.19765E-04 -0.54599E-06 1064 0.611E-03 0.477E-03
DAV: 29 -0.444415867088E+03 -0.11964E-04 -0.10004E-06 936 0.308E-03 0.221E-03
DAV: 30 -0.444415876143E+03 -0.90548E-05 -0.89884E-07 960 0.222E-03
1 F= -.44441588E+03 E0= -.44440897E+03 d E =-.207294E-01