./iterations/neb0_image09_iter42_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.798338622959E+03 0.79834E+03 -0.25968E+04 912 0.101E+03
DAV: 2 0.101441743780E+03 -0.69690E+03 -0.67953E+03 1096 0.282E+02
DAV: 3 -0.635911534489E+02 -0.16503E+03 -0.16471E+03 835 0.155E+02
DAV: 4 -0.681171893921E+02 -0.45260E+01 -0.45084E+01 896 0.289E+01
DAV: 5 -0.681701749779E+02 -0.52986E-01 -0.52846E-01 926 0.310E+00 0.198E+01
DAV: 6 -0.635876959400E+02 0.45825E+01 -0.18797E+01 864 0.219E+01 0.109E+01
DAV: 7 -0.634405311949E+02 0.14716E+00 -0.92069E-01 939 0.531E+00 0.398E+00
DAV: 8 -0.634396415186E+02 0.88968E-03 -0.89435E-02 872 0.197E+00 0.136E+00
DAV: 9 -0.634507103835E+02 -0.11069E-01 -0.17549E-02 918 0.889E-01 0.318E-01
DAV: 10 -0.634527236528E+02 -0.20133E-02 -0.43858E-03 923 0.464E-01 0.150E-01
DAV: 11 -0.634536150159E+02 -0.89136E-03 -0.53496E-04 864 0.169E-01 0.708E-02
DAV: 12 -0.634548721506E+02 -0.12571E-02 -0.29021E-04 852 0.122E-01 0.305E-02
DAV: 13 -0.634557247015E+02 -0.85255E-03 -0.12808E-04 822 0.820E-02 0.292E-02
DAV: 14 -0.634563570481E+02 -0.63235E-03 -0.86847E-05 806 0.566E-02 0.126E-02
DAV: 15 -0.634566397320E+02 -0.28268E-03 -0.26302E-05 689 0.348E-02 0.537E-03
DAV: 16 -0.634568309410E+02 -0.19121E-03 -0.13625E-05 617 0.188E-02 0.388E-03
DAV: 17 -0.634569444148E+02 -0.11347E-03 -0.66219E-06 638 0.113E-02 0.212E-03
DAV: 18 -0.634570003415E+02 -0.55927E-04 -0.32864E-06 630 0.684E-03 0.944E-04
DAV: 19 -0.634570269213E+02 -0.26580E-04 -0.15119E-06 614 0.480E-03 0.923E-04
DAV: 20 -0.634570364156E+02 -0.94943E-05 -0.52755E-07 582 0.322E-03
1 F= -.63457036E+02 E0= -.63460902E+02 d E =0.115964E-01