iterations/neb0_image09_iter24_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 0.209572683178E+04 0.20957E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142719563428E+03 -0.22384E+04 -0.21490E+04 2160 0.262E+02
DAV: 3 -0.466379578964E+03 -0.32366E+03 -0.32030E+03 1840 0.108E+02
DAV: 4 -0.479155345898E+03 -0.12776E+02 -0.12728E+02 1976 0.227E+01
DAV: 5 -0.479608768449E+03 -0.45342E+00 -0.45320E+00 2128 0.377E+00 0.427E+01
DAV: 6 -0.447130825361E+03 0.32478E+02 -0.14315E+02 2016 0.308E+01 0.271E+01
DAV: 7 -0.448957767079E+03 -0.18269E+01 -0.73485E+01 1888 0.111E+01 0.137E+01
DAV: 8 -0.446252269770E+03 0.27055E+01 -0.81775E+00 2408 0.800E+00 0.896E+00
DAV: 9 -0.446827194759E+03 -0.57492E+00 -0.17206E+01 1952 0.409E+00 0.505E+00
DAV: 10 -0.445912860436E+03 0.91433E+00 -0.71949E-01 2176 0.395E+00 0.265E+00
DAV: 11 -0.445992577907E+03 -0.79717E-01 -0.15802E+00 1904 0.153E+00 0.345E+00
DAV: 12 -0.445971211590E+03 0.21366E-01 -0.20143E+00 2072 0.117E+00 0.358E+00
DAV: 13 -0.446005996085E+03 -0.34784E-01 -0.20877E+00 2288 0.104E+00 0.390E+00
DAV: 14 -0.445895012412E+03 0.11098E+00 -0.25552E-01 2000 0.685E-01 0.584E-01
DAV: 15 -0.445902387926E+03 -0.73755E-02 -0.29522E-02 1952 0.298E-01 0.262E-01
DAV: 16 -0.445904722286E+03 -0.23344E-02 -0.37025E-03 1864 0.146E-01 0.243E-01
DAV: 17 -0.445906725753E+03 -0.20035E-02 -0.15471E-03 1976 0.897E-02 0.265E-01
DAV: 18 -0.445908737497E+03 -0.20117E-02 -0.17129E-03 2032 0.679E-02 0.206E-01
DAV: 19 -0.445911578008E+03 -0.28405E-02 -0.17795E-03 2072 0.106E-01 0.230E-01
DAV: 20 -0.445913332845E+03 -0.17548E-02 -0.11388E-03 1880 0.610E-02 0.105E-01
DAV: 21 -0.445914332124E+03 -0.99928E-03 -0.40930E-04 1824 0.407E-02 0.554E-02
DAV: 22 -0.445914844395E+03 -0.51227E-03 -0.25236E-04 1960 0.347E-02 0.777E-02
DAV: 23 -0.445915068779E+03 -0.22438E-03 -0.43414E-05 1568 0.163E-02 0.464E-02
DAV: 24 -0.445915259792E+03 -0.19101E-03 -0.62183E-05 1728 0.182E-02 0.926E-03
DAV: 25 -0.445915413671E+03 -0.15388E-03 -0.17364E-05 1168 0.105E-02 0.284E-02
DAV: 26 -0.445915472335E+03 -0.58664E-04 -0.10728E-05 1096 0.773E-03 0.372E-03
DAV: 27 -0.445915489398E+03 -0.17063E-04 -0.21996E-06 936 0.353E-03 0.707E-03
DAV: 28 -0.445915523546E+03 -0.34148E-04 -0.46683E-06 1032 0.699E-03 0.740E-03
DAV: 29 -0.445915536245E+03 -0.12699E-04 -0.17982E-06 944 0.318E-03 0.930E-03
DAV: 30 -0.445915541466E+03 -0.52213E-05 -0.85854E-07 936 0.312E-03
1 F= -.44591554E+03 E0= -.44588904E+03 d E =-.795043E-01