./iterations/neb0_image09_iter89_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 0.797732511153E+03 0.79773E+03 -0.25972E+04 912 0.101E+03
DAV: 2 0.102081888061E+03 -0.69565E+03 -0.67874E+03 1096 0.282E+02
DAV: 3 -0.635576177092E+02 -0.16564E+03 -0.16530E+03 835 0.155E+02
DAV: 4 -0.681380190949E+02 -0.45804E+01 -0.45634E+01 888 0.291E+01
DAV: 5 -0.681965304478E+02 -0.58511E-01 -0.58356E-01 920 0.320E+00 0.198E+01
DAV: 6 -0.636255539937E+02 0.45710E+01 -0.18783E+01 838 0.216E+01 0.109E+01
DAV: 7 -0.634782261704E+02 0.14733E+00 -0.91358E-01 958 0.524E+00 0.398E+00
DAV: 8 -0.634764934013E+02 0.17328E-02 -0.89044E-02 888 0.196E+00 0.136E+00
DAV: 9 -0.634870577979E+02 -0.10564E-01 -0.17426E-02 918 0.874E-01 0.318E-01
DAV: 10 -0.634891579013E+02 -0.21001E-02 -0.40764E-03 923 0.439E-01 0.151E-01
DAV: 11 -0.634901290249E+02 -0.97112E-03 -0.48756E-04 864 0.159E-01 0.714E-02
DAV: 12 -0.634915640281E+02 -0.14350E-02 -0.33215E-04 844 0.131E-01 0.339E-02
DAV: 13 -0.634924548629E+02 -0.89083E-03 -0.13741E-04 843 0.789E-02 0.310E-02
DAV: 14 -0.634931265581E+02 -0.67170E-03 -0.86565E-05 794 0.528E-02 0.132E-02
DAV: 15 -0.634934028435E+02 -0.27629E-03 -0.23417E-05 702 0.327E-02 0.619E-03
DAV: 16 -0.634936177135E+02 -0.21487E-03 -0.17218E-05 605 0.221E-02 0.428E-03
DAV: 17 -0.634937438753E+02 -0.12616E-03 -0.70747E-06 633 0.122E-02 0.236E-03
DAV: 18 -0.634938021813E+02 -0.58306E-04 -0.33371E-06 636 0.657E-03 0.124E-03
DAV: 19 -0.634938314363E+02 -0.29255E-04 -0.16639E-06 614 0.569E-03 0.114E-03
DAV: 20 -0.634938413442E+02 -0.99079E-05 -0.56269E-07 590 0.286E-03
1 F= -.63493841E+02 E0= -.63497707E+02 d E =0.115964E-01