iterations/neb0_image09_iter33_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 0.209787734331E+04 0.20979E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142585993783E+03 -0.22405E+04 -0.21508E+04 2160 0.262E+02
DAV: 3 -0.466483928636E+03 -0.32390E+03 -0.32055E+03 1840 0.108E+02
DAV: 4 -0.479242159837E+03 -0.12758E+02 -0.12710E+02 1968 0.227E+01
DAV: 5 -0.479702397372E+03 -0.46024E+00 -0.46000E+00 2120 0.379E+00 0.428E+01
DAV: 6 -0.447106760680E+03 0.32596E+02 -0.14297E+02 2032 0.308E+01 0.271E+01
DAV: 7 -0.449048724110E+03 -0.19420E+01 -0.74798E+01 1912 0.111E+01 0.137E+01
DAV: 8 -0.446225073243E+03 0.28237E+01 -0.81214E+00 2424 0.800E+00 0.859E+00
DAV: 9 -0.446783945486E+03 -0.55887E+00 -0.14539E+01 1872 0.395E+00 0.483E+00
DAV: 10 -0.445982084276E+03 0.80186E+00 -0.60651E-01 2064 0.390E+00 0.339E+00
DAV: 11 -0.446099140166E+03 -0.11706E+00 -0.25057E+00 1920 0.167E+00 0.414E+00
DAV: 12 -0.445992586772E+03 0.10655E+00 -0.21910E+00 1984 0.133E+00 0.324E+00
DAV: 13 -0.446029212096E+03 -0.36625E-01 -0.17524E+00 2184 0.101E+00 0.363E+00
DAV: 14 -0.445933861778E+03 0.95350E-01 -0.37388E-01 1984 0.671E-01 0.330E-01
DAV: 15 -0.445943859720E+03 -0.99979E-02 -0.20302E-02 1992 0.268E-01 0.496E-01
DAV: 16 -0.445944311194E+03 -0.45147E-03 -0.46064E-03 1856 0.147E-01 0.112E-01
DAV: 17 -0.445946464674E+03 -0.21535E-02 -0.16860E-03 1912 0.922E-02 0.167E-01
DAV: 18 -0.445949514954E+03 -0.30503E-02 -0.50507E-03 2016 0.800E-02 0.378E-01
DAV: 19 -0.445951896294E+03 -0.23813E-02 -0.80904E-03 2312 0.130E-01 0.401E-01
DAV: 20 -0.445952629564E+03 -0.73327E-03 -0.99406E-04 1880 0.624E-02 0.684E-02
DAV: 21 -0.445953815365E+03 -0.11858E-02 -0.55505E-04 1800 0.504E-02 0.414E-02
DAV: 22 -0.445954391051E+03 -0.57569E-03 -0.23011E-04 1888 0.322E-02 0.108E-01
DAV: 23 -0.445954567447E+03 -0.17640E-03 -0.66118E-05 1640 0.180E-02 0.437E-02
DAV: 24 -0.445954747198E+03 -0.17975E-03 -0.62751E-05 1704 0.181E-02 0.936E-03
DAV: 25 -0.445954899144E+03 -0.15195E-03 -0.11544E-05 1192 0.757E-03 0.813E-03
DAV: 26 -0.445954992209E+03 -0.93065E-04 -0.76796E-06 1144 0.526E-03 0.172E-02
DAV: 27 -0.445955021282E+03 -0.29073E-04 -0.48008E-06 968 0.473E-03 0.110E-02
DAV: 28 -0.445955055595E+03 -0.34313E-04 -0.24362E-06 1040 0.356E-03 0.424E-03
DAV: 29 -0.445955068165E+03 -0.12570E-04 -0.10793E-06 944 0.204E-03 0.426E-03
DAV: 30 -0.445955073335E+03 -0.51703E-05 -0.72076E-07 936 0.249E-03
1 F= -.44595507E+03 E0= -.44592883E+03 d E =-.787420E-01