iterations/neb0_image02_iter54_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 0.367945500967E+03 0.36795E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.462094315707E+01 -0.36332E+03 -0.34852E+03 834 0.195E+02
DAV: 3 -0.956802359645E+02 -0.10030E+03 -0.99965E+02 688 0.116E+02
DAV: 4 -0.100157528165E+03 -0.44773E+01 -0.44671E+01 696 0.279E+01
DAV: 5 -0.100244657736E+03 -0.87130E-01 -0.87087E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916459280673E+02 0.85987E+01 -0.30936E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908199811002E+02 0.82595E+00 -0.18221E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904313874746E+02 0.38859E+00 -0.56551E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903412762142E+02 0.90111E-01 -0.14019E-01 712 0.167E+00 0.437E-01
DAV: 10 -0.903346412357E+02 0.66350E-02 -0.45001E-02 720 0.126E+00 0.317E-01
DAV: 11 -0.903382959985E+02 -0.36548E-02 -0.70309E-03 605 0.468E-01 0.152E-01
DAV: 12 -0.903415720541E+02 -0.32761E-02 -0.65764E-03 621 0.461E-01 0.123E-01
DAV: 13 -0.903445720572E+02 -0.30000E-02 -0.11069E-03 808 0.298E-01 0.805E-02
DAV: 14 -0.903476544662E+02 -0.30824E-02 -0.16972E-03 629 0.197E-01 0.598E-02
DAV: 15 -0.903502578498E+02 -0.26034E-02 -0.61438E-04 757 0.170E-01 0.395E-02
DAV: 16 -0.903512306004E+02 -0.97275E-03 -0.39363E-04 672 0.103E-01 0.337E-02
DAV: 17 -0.903522036872E+02 -0.97309E-03 -0.16704E-04 673 0.786E-02 0.198E-02
DAV: 18 -0.903524359372E+02 -0.23225E-03 -0.73601E-05 680 0.459E-02 0.120E-02
DAV: 19 -0.903526497954E+02 -0.21386E-03 -0.22588E-05 487 0.260E-02 0.464E-03
DAV: 20 -0.903527268231E+02 -0.77028E-04 -0.12534E-05 469 0.164E-02 0.369E-03
DAV: 21 -0.903527631696E+02 -0.36347E-04 -0.45079E-06 448 0.142E-02 0.346E-03
DAV: 22 -0.903527777001E+02 -0.14530E-04 -0.32627E-06 453 0.854E-03 0.328E-03
DAV: 23 -0.903527789807E+02 -0.12806E-05 -0.19955E-06 504 0.112E-02
1 F= -.90352779E+02 E0= -.90358685E+02 d E =0.177187E-01