./iterations/neb0_image09_iter85_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 0.798047857021E+03 0.79805E+03 -0.25972E+04 912 0.101E+03
DAV: 2 0.102161245720E+03 -0.69589E+03 -0.67893E+03 1096 0.282E+02
DAV: 3 -0.635582854690E+02 -0.16572E+03 -0.16539E+03 835 0.155E+02
DAV: 4 -0.681401903769E+02 -0.45819E+01 -0.45648E+01 896 0.291E+01
DAV: 5 -0.681937313386E+02 -0.53541E-01 -0.53412E-01 902 0.313E+00 0.199E+01
DAV: 6 -0.636256763001E+02 0.45681E+01 -0.18789E+01 846 0.216E+01 0.110E+01
DAV: 7 -0.634771845201E+02 0.14849E+00 -0.90325E-01 955 0.520E+00 0.398E+00
DAV: 8 -0.634756089903E+02 0.15755E-02 -0.88978E-02 896 0.196E+00 0.135E+00
DAV: 9 -0.634861355079E+02 -0.10527E-01 -0.17360E-02 918 0.873E-01 0.318E-01
DAV: 10 -0.634882570923E+02 -0.21216E-02 -0.40617E-03 923 0.433E-01 0.151E-01
DAV: 11 -0.634892323477E+02 -0.97526E-03 -0.49065E-04 859 0.160E-01 0.722E-02
DAV: 12 -0.634906747661E+02 -0.14424E-02 -0.32377E-04 849 0.128E-01 0.340E-02
DAV: 13 -0.634915556120E+02 -0.88085E-03 -0.13495E-04 835 0.772E-02 0.308E-02
DAV: 14 -0.634922037332E+02 -0.64812E-03 -0.80527E-05 794 0.509E-02 0.124E-02
DAV: 15 -0.634924851587E+02 -0.28143E-03 -0.23902E-05 686 0.326E-02 0.567E-03
DAV: 16 -0.634927000295E+02 -0.21487E-03 -0.16666E-05 605 0.211E-02 0.418E-03
DAV: 17 -0.634928260413E+02 -0.12601E-03 -0.72063E-06 633 0.129E-02 0.275E-03
DAV: 18 -0.634928785593E+02 -0.52518E-04 -0.28924E-06 646 0.648E-03 0.125E-03
DAV: 19 -0.634929093866E+02 -0.30827E-04 -0.19194E-06 614 0.660E-03 0.130E-03
DAV: 20 -0.634929175152E+02 -0.81286E-05 -0.48932E-07 566 0.291E-03
1 F= -.63492918E+02 E0= -.63496783E+02 d E =0.115964E-01