iterations/neb0_image09_iter27_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 0.209838358161E+04 0.20984E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.142567866532E+03 -0.22410E+04 -0.21514E+04 2160 0.262E+02
DAV: 3 -0.466514901478E+03 -0.32395E+03 -0.32059E+03 1840 0.108E+02
DAV: 4 -0.479267500239E+03 -0.12753E+02 -0.12705E+02 1968 0.227E+01
DAV: 5 -0.479725307044E+03 -0.45781E+00 -0.45759E+00 2136 0.378E+00 0.428E+01
DAV: 6 -0.447151732368E+03 0.32574E+02 -0.14291E+02 2016 0.310E+01 0.272E+01
DAV: 7 -0.448930593509E+03 -0.17789E+01 -0.72392E+01 1896 0.111E+01 0.136E+01
DAV: 8 -0.446311192014E+03 0.26194E+01 -0.78412E+00 2464 0.799E+00 0.918E+00
DAV: 9 -0.446882506472E+03 -0.57131E+00 -0.18528E+01 1992 0.419E+00 0.516E+00
DAV: 10 -0.445920314815E+03 0.96219E+00 -0.74798E-01 2208 0.399E+00 0.241E+00
DAV: 11 -0.445981918112E+03 -0.61603E-01 -0.13122E+00 1896 0.148E+00 0.301E+00
DAV: 12 -0.445985170751E+03 -0.32526E-02 -0.17442E+00 2016 0.108E+00 0.352E+00
DAV: 13 -0.446029499726E+03 -0.44329E-01 -0.21567E+00 2336 0.105E+00 0.405E+00
DAV: 14 -0.445909337918E+03 0.12016E+00 -0.25100E-01 2016 0.691E-01 0.735E-01
DAV: 15 -0.445915536779E+03 -0.61989E-02 -0.35727E-02 1936 0.316E-01 0.234E-01
DAV: 16 -0.445918258007E+03 -0.27212E-02 -0.38526E-03 1880 0.152E-01 0.232E-01
DAV: 17 -0.445920632102E+03 -0.23741E-02 -0.14630E-03 2080 0.892E-02 0.416E-01
DAV: 18 -0.445922007024E+03 -0.13749E-02 -0.26173E-03 1968 0.833E-02 0.203E-01
DAV: 19 -0.445924476194E+03 -0.24692E-02 -0.12754E-03 1856 0.904E-02 0.133E-01
DAV: 20 -0.445926656632E+03 -0.21804E-02 -0.10340E-03 1832 0.552E-02 0.124E-01
DAV: 21 -0.445927684796E+03 -0.10282E-02 -0.37062E-04 1800 0.362E-02 0.398E-02
DAV: 22 -0.445928304086E+03 -0.61929E-03 -0.19363E-04 2024 0.324E-02 0.427E-02
DAV: 23 -0.445928470697E+03 -0.16661E-03 -0.23794E-05 1320 0.127E-02 0.415E-02
DAV: 24 -0.445928626297E+03 -0.15560E-03 -0.51360E-05 1680 0.176E-02 0.920E-03
DAV: 25 -0.445928733090E+03 -0.10679E-03 -0.11844E-05 1144 0.875E-03 0.125E-02
DAV: 26 -0.445928806203E+03 -0.73113E-04 -0.88264E-06 1160 0.716E-03 0.842E-03
DAV: 27 -0.445928824964E+03 -0.18760E-04 -0.23000E-06 936 0.378E-03 0.573E-03
DAV: 28 -0.445928853402E+03 -0.28439E-04 -0.27003E-06 1008 0.579E-03 0.265E-03
DAV: 29 -0.445928868001E+03 -0.14599E-04 -0.26175E-06 944 0.369E-03 0.729E-03
DAV: 30 -0.445928874092E+03 -0.60913E-05 -0.61734E-07 944 0.249E-03
1 F= -.44592887E+03 E0= -.44590264E+03 d E =-.787062E-01