./iterations/neb0_image09_iter68_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 0.374926166733E+03 0.37493E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.257042949180E+01 -0.37236E+03 -0.35998E+03 877 0.196E+02
DAV: 3 -0.967094304496E+02 -0.99280E+02 -0.98943E+02 656 0.117E+02
DAV: 4 -0.101246079047E+03 -0.45366E+01 -0.45274E+01 696 0.289E+01
DAV: 5 -0.101335863176E+03 -0.89784E-01 -0.89745E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926698796820E+02 0.86660E+01 -0.30858E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918007270883E+02 0.86915E+00 -0.17267E+00 728 0.617E+00 0.480E+00
DAV: 8 -0.914230845644E+02 0.37764E+00 -0.54393E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913401722966E+02 0.82912E-01 -0.13160E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913311924648E+02 0.89798E-02 -0.46601E-02 768 0.113E+00 0.306E-01
DAV: 11 -0.913357817519E+02 -0.45893E-02 -0.14036E-02 616 0.616E-01 0.152E-01
DAV: 12 -0.913386392505E+02 -0.28575E-02 -0.30348E-03 620 0.243E-01 0.116E-01
DAV: 13 -0.913425288646E+02 -0.38896E-02 -0.18155E-03 712 0.231E-01 0.445E-02
DAV: 14 -0.913458977386E+02 -0.33689E-02 -0.55111E-04 669 0.129E-01 0.311E-02
DAV: 15 -0.913474545025E+02 -0.15568E-02 -0.14093E-04 696 0.655E-02 0.327E-02
DAV: 16 -0.913487539546E+02 -0.12995E-02 -0.34891E-04 647 0.943E-02 0.201E-02
DAV: 17 -0.913490009267E+02 -0.24697E-03 -0.40518E-05 656 0.451E-02 0.127E-02
DAV: 18 -0.913492454171E+02 -0.24449E-03 -0.54096E-05 620 0.364E-02 0.108E-02
DAV: 19 -0.913493201784E+02 -0.74761E-04 -0.76445E-06 480 0.205E-02 0.541E-03
DAV: 20 -0.913493541330E+02 -0.33955E-04 -0.16217E-05 448 0.237E-02 0.386E-03
DAV: 21 -0.913493738676E+02 -0.19735E-04 -0.31021E-06 450 0.113E-02 0.243E-03
DAV: 22 -0.913493795187E+02 -0.56511E-05 -0.24041E-06 450 0.894E-03
1 F= -.91349380E+02 E0= -.91354054E+02 d E =0.140248E-01