iterations/neb0_image01_iter28_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 0.208828390452E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141213718788E+03 -0.22295E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461922670210E+03 -0.32071E+03 -0.31714E+03 1896 0.107E+02
DAV: 4 -0.475379216274E+03 -0.13457E+02 -0.13231E+02 1976 0.226E+01
DAV: 5 -0.475862273233E+03 -0.48306E+00 -0.48273E+00 2088 0.377E+00 0.435E+01
DAV: 6 -0.458837534307E+03 0.17025E+02 -0.24164E+02 2048 0.319E+01 0.410E+01
DAV: 7 -0.449857586311E+03 0.89799E+01 -0.41274E+01 1756 0.140E+01 0.198E+01
DAV: 8 -0.445393591857E+03 0.44640E+01 -0.83340E+00 1800 0.714E+00 0.114E+01
DAV: 9 -0.446607830581E+03 -0.12142E+01 -0.25934E+01 2136 0.800E+00 0.100E+01
DAV: 10 -0.446070688083E+03 0.53714E+00 -0.14485E+00 1824 0.224E+00 0.903E+00
DAV: 11 -0.444868630686E+03 0.12021E+01 -0.19098E+00 1992 0.245E+00 0.567E+00
DAV: 12 -0.444928747215E+03 -0.60117E-01 -0.69230E+00 2024 0.270E+00 0.137E+01
DAV: 13 -0.444473144289E+03 0.45560E+00 -0.60694E+00 1944 0.242E+00 0.380E+00
DAV: 14 -0.444514270563E+03 -0.41126E-01 -0.14315E-01 1872 0.738E-01 0.347E+00
DAV: 15 -0.444388778431E+03 0.12549E+00 -0.19775E-02 2032 0.484E-01 0.158E+00
DAV: 16 -0.444388955266E+03 -0.17683E-03 -0.11878E-02 1880 0.351E-01 0.847E-01
DAV: 17 -0.444400341032E+03 -0.11386E-01 -0.10036E-01 2072 0.352E-01 0.537E-01
DAV: 18 -0.444407002764E+03 -0.66617E-02 -0.39535E-03 1904 0.159E-01 0.217E-01
DAV: 19 -0.444407604456E+03 -0.60169E-03 -0.13427E-03 1872 0.786E-02 0.123E-01
DAV: 20 -0.444408587880E+03 -0.98342E-03 -0.48996E-04 1976 0.597E-02 0.448E-02
DAV: 21 -0.444409572665E+03 -0.98479E-03 -0.21101E-04 1832 0.353E-02 0.753E-02
DAV: 22 -0.444410455097E+03 -0.88243E-03 -0.24747E-04 1952 0.426E-02 0.965E-02
DAV: 23 -0.444410507028E+03 -0.51931E-04 -0.11432E-04 1904 0.295E-02 0.302E-02
DAV: 24 -0.444410875475E+03 -0.36845E-03 -0.34131E-05 1528 0.169E-02 0.190E-02
DAV: 25 -0.444411255608E+03 -0.38013E-03 -0.12129E-04 1832 0.257E-02 0.187E-02
DAV: 26 -0.444411403311E+03 -0.14770E-03 -0.44326E-05 1792 0.203E-02 0.171E-02
DAV: 27 -0.444411448723E+03 -0.45412E-04 -0.15135E-05 1344 0.101E-02 0.191E-02
DAV: 28 -0.444411477708E+03 -0.28985E-04 -0.64440E-06 1112 0.711E-03 0.710E-03
DAV: 29 -0.444411496917E+03 -0.19209E-04 -0.30394E-06 1032 0.369E-03 0.815E-03
DAV: 30 -0.444411508290E+03 -0.11372E-04 -0.13395E-06 936 0.387E-03 0.570E-03
DAV: 31 -0.444411513678E+03 -0.53889E-05 -0.24195E-06 936 0.399E-03
1 F= -.44441151E+03 E0= -.44440458E+03 d E =-.208093E-01