iterations/neb0_image09_iter46_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 0.209759435727E+04 0.20976E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142901438847E+03 -0.22405E+04 -0.21505E+04 2160 0.262E+02
DAV: 3 -0.466267637819E+03 -0.32337E+03 -0.31999E+03 1824 0.108E+02
DAV: 4 -0.479251167513E+03 -0.12984E+02 -0.12931E+02 1976 0.229E+01
DAV: 5 -0.479717786928E+03 -0.46662E+00 -0.46635E+00 2088 0.381E+00 0.427E+01
DAV: 6 -0.447147677429E+03 0.32570E+02 -0.14273E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449060591497E+03 -0.19129E+01 -0.74774E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446253275442E+03 0.28073E+01 -0.80309E+00 2440 0.799E+00 0.862E+00
DAV: 9 -0.446818553261E+03 -0.56528E+00 -0.14899E+01 1880 0.396E+00 0.485E+00
DAV: 10 -0.445997177785E+03 0.82138E+00 -0.60038E-01 2080 0.390E+00 0.323E+00
DAV: 11 -0.446115748362E+03 -0.11857E+00 -0.23864E+00 1912 0.165E+00 0.410E+00
DAV: 12 -0.446011707403E+03 0.10404E+00 -0.21197E+00 2024 0.128E+00 0.318E+00
DAV: 13 -0.446054173689E+03 -0.42466E-01 -0.17497E+00 2192 0.990E-01 0.368E+00
DAV: 14 -0.445955412870E+03 0.98761E-01 -0.29998E-01 2000 0.657E-01 0.388E-01
DAV: 15 -0.445964169479E+03 -0.87566E-02 -0.22369E-02 1992 0.271E-01 0.363E-01
DAV: 16 -0.445965573791E+03 -0.14043E-02 -0.52003E-03 1864 0.148E-01 0.168E-01
DAV: 17 -0.445967515742E+03 -0.19420E-02 -0.23251E-03 1920 0.101E-01 0.208E-01
DAV: 18 -0.445970155869E+03 -0.26401E-02 -0.34605E-03 1936 0.789E-02 0.305E-01
DAV: 19 -0.445972801843E+03 -0.26460E-02 -0.50765E-03 2136 0.123E-01 0.384E-01
DAV: 20 -0.445973766184E+03 -0.96434E-03 -0.99681E-04 1816 0.581E-02 0.984E-02
DAV: 21 -0.445974880432E+03 -0.11142E-02 -0.53037E-04 1848 0.490E-02 0.287E-02
DAV: 22 -0.445975408989E+03 -0.52856E-03 -0.22235E-04 1920 0.316E-02 0.813E-02
DAV: 23 -0.445975617940E+03 -0.20895E-03 -0.50269E-05 1528 0.162E-02 0.357E-02
DAV: 24 -0.445975793210E+03 -0.17527E-03 -0.52186E-05 1696 0.164E-02 0.113E-02
DAV: 25 -0.445975955586E+03 -0.16238E-03 -0.15317E-05 1192 0.864E-03 0.167E-02
DAV: 26 -0.445976039890E+03 -0.84304E-04 -0.85692E-06 1160 0.596E-03 0.685E-03
DAV: 27 -0.445976062880E+03 -0.22990E-04 -0.24263E-06 936 0.374E-03 0.824E-03
DAV: 28 -0.445976098114E+03 -0.35234E-04 -0.43096E-06 1064 0.557E-03 0.403E-03
DAV: 29 -0.445976108445E+03 -0.10331E-04 -0.10428E-06 936 0.276E-03 0.466E-03
DAV: 30 -0.445976113843E+03 -0.53977E-05 -0.12258E-06 936 0.300E-03
1 F= -.44597611E+03 E0= -.44594994E+03 d E =-.785226E-01