./iterations/neb0_image08_iter22_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373427029750E+03 0.37343E+03 -0.14270E+04 624 0.799E+02
DAV: 2 0.304188375098E+01 -0.37039E+03 -0.35815E+03 869 0.196E+02
DAV: 3 -0.963683147419E+02 -0.99410E+02 -0.99068E+02 672 0.116E+02
DAV: 4 -0.100861527785E+03 -0.44932E+01 -0.44813E+01 712 0.282E+01
DAV: 5 -0.100950464959E+03 -0.88937E-01 -0.88893E-01 728 0.359E+00 0.225E+01
DAV: 6 -0.923126200661E+02 0.86378E+01 -0.30751E+01 696 0.302E+01 0.118E+01
DAV: 7 -0.914575541166E+02 0.85507E+00 -0.17053E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.910821332489E+02 0.37542E+00 -0.56210E-01 712 0.404E+00 0.165E+00
DAV: 9 -0.909973487388E+02 0.84785E-01 -0.13114E-01 712 0.157E+00 0.433E-01
DAV: 10 -0.909875380027E+02 0.98107E-02 -0.38010E-02 752 0.986E-01 0.285E-01
DAV: 11 -0.909921048497E+02 -0.45668E-02 -0.11044E-02 608 0.550E-01 0.153E-01
DAV: 12 -0.909946400646E+02 -0.25352E-02 -0.23441E-03 634 0.272E-01 0.844E-02
DAV: 13 -0.909986219196E+02 -0.39819E-02 -0.15781E-03 633 0.183E-01 0.584E-02
DAV: 14 -0.910014420483E+02 -0.28201E-02 -0.68438E-04 832 0.209E-01 0.422E-02
DAV: 15 -0.910033553375E+02 -0.19133E-02 -0.36917E-04 645 0.108E-01 0.319E-02
DAV: 16 -0.910045991022E+02 -0.12438E-02 -0.18947E-04 824 0.747E-02 0.213E-02
DAV: 17 -0.910055314172E+02 -0.93231E-03 -0.18917E-04 644 0.675E-02 0.151E-02
DAV: 18 -0.910057408922E+02 -0.20948E-03 -0.19818E-05 504 0.274E-02 0.867E-03
DAV: 19 -0.910059292758E+02 -0.18838E-03 -0.51183E-05 603 0.333E-02 0.719E-03
DAV: 20 -0.910059328028E+02 -0.35270E-05 -0.25179E-06 536 0.112E-02
1 F= -.91005933E+02 E0= -.91011476E+02 d E =0.166290E-01