iterations/neb0_image04_iter173_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 0.363708315799E+03 0.36371E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.111844492730E+01 -0.36259E+03 -0.34975E+03 863 0.194E+02
DAV: 3 -0.960728144805E+02 -0.97191E+02 -0.96891E+02 671 0.115E+02
DAV: 4 -0.100254637703E+03 -0.41818E+01 -0.41717E+01 704 0.273E+01
DAV: 5 -0.100333599044E+03 -0.78961E-01 -0.78926E-01 736 0.341E+00 0.224E+01
DAV: 6 -0.916269866143E+02 0.87066E+01 -0.30988E+01 687 0.297E+01 0.117E+01
DAV: 7 -0.907577741605E+02 0.86921E+00 -0.17681E+00 704 0.628E+00 0.483E+00
DAV: 8 -0.903473901556E+02 0.41038E+00 -0.57112E-01 704 0.432E+00 0.165E+00
DAV: 9 -0.902541679596E+02 0.93222E-01 -0.12613E-01 720 0.191E+00 0.478E-01
DAV: 10 -0.902444230049E+02 0.97450E-02 -0.33493E-02 720 0.937E-01 0.340E-01
DAV: 11 -0.902467419667E+02 -0.23190E-02 -0.10439E-02 672 0.705E-01 0.232E-01
DAV: 12 -0.902483298627E+02 -0.15879E-02 -0.35044E-03 749 0.551E-01 0.116E-01
DAV: 13 -0.902526965533E+02 -0.43667E-02 -0.29856E-03 617 0.304E-01 0.965E-02
DAV: 14 -0.902562225846E+02 -0.35260E-02 -0.85348E-04 640 0.161E-01 0.399E-02
DAV: 15 -0.902593016569E+02 -0.30791E-02 -0.66132E-04 666 0.123E-01 0.339E-02
DAV: 16 -0.902612309673E+02 -0.19293E-02 -0.26203E-04 736 0.123E-01 0.204E-02
DAV: 17 -0.902624267332E+02 -0.11958E-02 -0.18636E-04 658 0.609E-02 0.234E-02
DAV: 18 -0.902627846901E+02 -0.35796E-03 -0.11437E-04 744 0.787E-02 0.104E-02
DAV: 19 -0.902629876590E+02 -0.20297E-03 -0.37999E-05 641 0.304E-02 0.121E-02
DAV: 20 -0.902630584581E+02 -0.70799E-04 -0.48189E-06 496 0.106E-02 0.939E-03
DAV: 21 -0.902631408204E+02 -0.82362E-04 -0.30023E-05 545 0.332E-02 0.368E-03
DAV: 22 -0.902631523400E+02 -0.11520E-04 -0.34959E-06 496 0.126E-02 0.299E-03
DAV: 23 -0.902631568424E+02 -0.45024E-05 -0.27186E-06 434 0.963E-03
1 F= -.90263157E+02 E0= -.90271672E+02 d E =0.255456E-01