./iterations/neb0_image09_iter91_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 0.797655664159E+03 0.79766E+03 -0.25971E+04 912 0.101E+03
DAV: 2 0.102039843950E+03 -0.69562E+03 -0.67868E+03 1096 0.282E+02
DAV: 3 -0.634758272781E+02 -0.16552E+03 -0.16516E+03 827 0.155E+02
DAV: 4 -0.681370620276E+02 -0.46612E+01 -0.46443E+01 888 0.293E+01
DAV: 5 -0.681970018114E+02 -0.59940E-01 -0.59784E-01 915 0.323E+00 0.198E+01
DAV: 6 -0.636268921562E+02 0.45701E+01 -0.18791E+01 846 0.216E+01 0.109E+01
DAV: 7 -0.634787684780E+02 0.14812E+00 -0.90698E-01 971 0.522E+00 0.398E+00
DAV: 8 -0.634769944307E+02 0.17740E-02 -0.88948E-02 891 0.196E+00 0.136E+00
DAV: 9 -0.634875293893E+02 -0.10535E-01 -0.17476E-02 923 0.881E-01 0.318E-01
DAV: 10 -0.634896496639E+02 -0.21203E-02 -0.41618E-03 918 0.443E-01 0.152E-01
DAV: 11 -0.634906220444E+02 -0.97238E-03 -0.48692E-04 864 0.158E-01 0.726E-02
DAV: 12 -0.634920734951E+02 -0.14515E-02 -0.33422E-04 844 0.130E-01 0.344E-02
DAV: 13 -0.634929579183E+02 -0.88442E-03 -0.13483E-04 843 0.796E-02 0.312E-02
DAV: 14 -0.634936401523E+02 -0.68223E-03 -0.93226E-05 804 0.562E-02 0.135E-02
DAV: 15 -0.634939236693E+02 -0.28352E-03 -0.25122E-05 702 0.337E-02 0.605E-03
DAV: 16 -0.634941379332E+02 -0.21426E-03 -0.17181E-05 623 0.214E-02 0.426E-03
DAV: 17 -0.634942629543E+02 -0.12502E-03 -0.68953E-06 633 0.125E-02 0.257E-03
DAV: 18 -0.634943191645E+02 -0.56210E-04 -0.30882E-06 636 0.639E-03 0.129E-03
DAV: 19 -0.634943517950E+02 -0.32631E-04 -0.19328E-06 609 0.663E-03 0.123E-03
DAV: 20 -0.634943602136E+02 -0.84187E-05 -0.51281E-07 582 0.290E-03
1 F= -.63494360E+02 E0= -.63498226E+02 d E =0.115965E-01