iterations/neb0_image02_iter2_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 0.209295713683E+04 0.20930E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139391292908E+03 -0.22323E+04 -0.21421E+04 2136 0.261E+02
DAV: 3 -0.462297802568E+03 -0.32291E+03 -0.31791E+03 1912 0.107E+02
DAV: 4 -0.475811182106E+03 -0.13513E+02 -0.13459E+02 1960 0.229E+01
DAV: 5 -0.476251904391E+03 -0.44072E+00 -0.44041E+00 2104 0.372E+00 0.435E+01
DAV: 6 -0.453955379187E+03 0.22297E+02 -0.14924E+02 2040 0.319E+01 0.409E+01
DAV: 7 -0.452679179261E+03 0.12762E+01 -0.41889E+01 1800 0.142E+01 0.220E+01
DAV: 8 -0.445789866019E+03 0.68893E+01 -0.91195E+00 1840 0.876E+00 0.136E+01
DAV: 9 -0.447056806325E+03 -0.12669E+01 -0.18401E+01 2072 0.115E+01 0.135E+01
DAV: 10 -0.446028329356E+03 0.10285E+01 -0.33958E+00 1872 0.352E+00 0.111E+01
DAV: 11 -0.445586762048E+03 0.44157E+00 -0.25027E-01 1960 0.120E+00 0.101E+01
DAV: 12 -0.444345529823E+03 0.12412E+01 -0.11831E+00 2064 0.240E+00 0.670E+00
DAV: 13 -0.444527635766E+03 -0.18211E+00 -0.99462E+00 2112 0.358E+00 0.137E+01
DAV: 14 -0.443629264982E+03 0.89837E+00 -0.64183E-01 1864 0.223E+00 0.371E+00
DAV: 15 -0.443787568640E+03 -0.15830E+00 -0.18654E-01 1904 0.965E-01 0.384E+00
DAV: 16 -0.443631759274E+03 0.15581E+00 -0.22166E-01 1896 0.736E-01 0.907E-01
DAV: 17 -0.443653952036E+03 -0.22193E-01 -0.18396E-02 1920 0.307E-01 0.686E-01
DAV: 18 -0.443652097401E+03 0.18546E-02 -0.10146E-02 1992 0.301E-01 0.461E-01
DAV: 19 -0.443661582592E+03 -0.94852E-02 -0.78692E-03 1952 0.256E-01 0.101E+00
DAV: 20 -0.443654612947E+03 0.69696E-02 -0.38945E-03 1880 0.182E-01 0.241E-01
DAV: 21 -0.443658917651E+03 -0.43047E-02 -0.76990E-04 1824 0.671E-02 0.401E-01
DAV: 22 -0.443658800019E+03 0.11763E-03 -0.62837E-04 2168 0.976E-02 0.200E-01
DAV: 23 -0.443659986075E+03 -0.11861E-02 -0.50842E-04 1920 0.573E-02 0.128E-01
DAV: 24 -0.443660577032E+03 -0.59096E-03 -0.13596E-04 2048 0.353E-02 0.719E-02
DAV: 25 -0.443661269985E+03 -0.69295E-03 -0.12098E-04 1888 0.289E-02 0.221E-02
DAV: 26 -0.443661737386E+03 -0.46740E-03 -0.49280E-05 1704 0.187E-02 0.765E-02
DAV: 27 -0.443662102383E+03 -0.36500E-03 -0.54781E-05 1616 0.231E-02 0.160E-02
DAV: 28 -0.443662219642E+03 -0.11726E-03 -0.21817E-05 1384 0.106E-02 0.102E-02
DAV: 29 -0.443662294326E+03 -0.74684E-04 -0.11410E-05 1296 0.101E-02 0.120E-02
DAV: 30 -0.443662345587E+03 -0.51261E-04 -0.12971E-05 1208 0.817E-03 0.233E-02
DAV: 31 -0.443662362702E+03 -0.17116E-04 -0.29062E-06 1056 0.557E-03 0.109E-02
DAV: 32 -0.443662368407E+03 -0.57049E-05 -0.22038E-06 936 0.401E-03
1 F= -.44366237E+03 E0= -.44365336E+03 d E =-.270276E-01