iterations/neb0_image09_iter45_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 0.209798133776E+04 0.20980E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.142887629104E+03 -0.22409E+04 -0.21509E+04 2160 0.262E+02
DAV: 3 -0.466292106062E+03 -0.32340E+03 -0.32003E+03 1824 0.108E+02
DAV: 4 -0.479269386477E+03 -0.12977E+02 -0.12925E+02 1976 0.229E+01
DAV: 5 -0.479737494376E+03 -0.46811E+00 -0.46786E+00 2112 0.381E+00 0.428E+01
DAV: 6 -0.447146709716E+03 0.32591E+02 -0.14301E+02 2016 0.310E+01 0.272E+01
DAV: 7 -0.449040867306E+03 -0.18942E+01 -0.74456E+01 1936 0.111E+01 0.137E+01
DAV: 8 -0.446269665544E+03 0.27712E+01 -0.80938E+00 2456 0.800E+00 0.876E+00
DAV: 9 -0.446841045607E+03 -0.57138E+00 -0.15819E+01 1920 0.401E+00 0.496E+00
DAV: 10 -0.445980456875E+03 0.86059E+00 -0.68064E-01 2120 0.392E+00 0.308E+00
DAV: 11 -0.446090110042E+03 -0.10965E+00 -0.21882E+00 1920 0.161E+00 0.401E+00
DAV: 12 -0.446002134189E+03 0.87976E-01 -0.20913E+00 2040 0.125E+00 0.322E+00
DAV: 13 -0.446042323702E+03 -0.40190E-01 -0.17607E+00 2184 0.974E-01 0.368E+00
DAV: 14 -0.445943951083E+03 0.98373E-01 -0.37415E-01 2048 0.682E-01 0.332E-01
DAV: 15 -0.445953414572E+03 -0.94635E-02 -0.21175E-02 2008 0.275E-01 0.451E-01
DAV: 16 -0.445953919743E+03 -0.50517E-03 -0.44537E-03 1856 0.144E-01 0.978E-02
DAV: 17 -0.445956048078E+03 -0.21283E-02 -0.18088E-03 1904 0.954E-02 0.202E-01
DAV: 18 -0.445958902250E+03 -0.28542E-02 -0.46949E-03 2008 0.807E-02 0.364E-01
DAV: 19 -0.445961170400E+03 -0.22681E-02 -0.64674E-03 2208 0.127E-01 0.346E-01
DAV: 20 -0.445962314678E+03 -0.11443E-02 -0.10161E-03 1840 0.579E-02 0.846E-02
DAV: 21 -0.445963383174E+03 -0.10685E-02 -0.40585E-04 1824 0.442E-02 0.464E-02
DAV: 22 -0.445963965851E+03 -0.58268E-03 -0.34934E-04 1920 0.382E-02 0.908E-02
DAV: 23 -0.445964179042E+03 -0.21319E-03 -0.62429E-05 1752 0.182E-02 0.472E-02
DAV: 24 -0.445964326105E+03 -0.14706E-03 -0.52199E-05 1664 0.165E-02 0.194E-02
DAV: 25 -0.445964478539E+03 -0.15243E-03 -0.17451E-05 1256 0.851E-03 0.145E-02
DAV: 26 -0.445964584430E+03 -0.10589E-03 -0.82349E-06 1176 0.558E-03 0.121E-02
DAV: 27 -0.445964609946E+03 -0.25516E-04 -0.29534E-06 944 0.383E-03 0.579E-03
DAV: 28 -0.445964643796E+03 -0.33850E-04 -0.24610E-06 1064 0.411E-03 0.303E-03
DAV: 29 -0.445964655587E+03 -0.11792E-04 -0.11029E-06 944 0.217E-03 0.447E-03
DAV: 30 -0.445964659780E+03 -0.41931E-05 -0.50981E-07 936 0.229E-03
1 F= -.44596466E+03 E0= -.44593849E+03 d E =-.785117E-01