./iterations/neb0_image09_iter18_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 0.798547704750E+03 0.79855E+03 -0.25967E+04 912 0.101E+03
DAV: 2 0.101470541274E+03 -0.69708E+03 -0.68017E+03 1096 0.282E+02
DAV: 3 -0.633352645887E+02 -0.16481E+03 -0.16445E+03 814 0.155E+02
DAV: 4 -0.680395342038E+02 -0.47043E+01 -0.46875E+01 904 0.293E+01
DAV: 5 -0.680942153641E+02 -0.54681E-01 -0.54524E-01 923 0.315E+00 0.199E+01
DAV: 6 -0.634557586050E+02 0.46385E+01 -0.18853E+01 883 0.220E+01 0.109E+01
DAV: 7 -0.633031939340E+02 0.15256E+00 -0.96110E-01 968 0.555E+00 0.398E+00
DAV: 8 -0.633007018565E+02 0.24921E-02 -0.88869E-02 928 0.194E+00 0.137E+00
DAV: 9 -0.633110612805E+02 -0.10359E-01 -0.18790E-02 918 0.949E-01 0.321E-01
DAV: 10 -0.633126517649E+02 -0.15905E-02 -0.44453E-03 928 0.525E-01 0.159E-01
DAV: 11 -0.633136006384E+02 -0.94887E-03 -0.55825E-04 862 0.175E-01 0.721E-02
DAV: 12 -0.633147974355E+02 -0.11968E-02 -0.30655E-04 859 0.135E-01 0.285E-02
DAV: 13 -0.633156754598E+02 -0.87802E-03 -0.12538E-04 854 0.100E-01 0.280E-02
DAV: 14 -0.633164037948E+02 -0.72833E-03 -0.13005E-04 785 0.842E-02 0.145E-02
DAV: 15 -0.633166958042E+02 -0.29201E-03 -0.34744E-05 851 0.438E-02 0.651E-03
DAV: 16 -0.633168925572E+02 -0.19675E-03 -0.13077E-05 591 0.196E-02 0.434E-03
DAV: 17 -0.633170179585E+02 -0.12540E-03 -0.85489E-06 686 0.144E-02 0.287E-03
DAV: 18 -0.633170789051E+02 -0.60947E-04 -0.32807E-06 626 0.756E-03 0.171E-03
DAV: 19 -0.633171182372E+02 -0.39332E-04 -0.27107E-06 596 0.983E-03 0.124E-03
DAV: 20 -0.633171266364E+02 -0.83991E-05 -0.59544E-07 536 0.392E-03
1 F= -.63317127E+02 E0= -.63320992E+02 d E =0.115965E-01