./iterations/neb0_image08_iter171_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 0.373667813151E+03 0.37367E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.268562026367E+01 -0.37098E+03 -0.35961E+03 871 0.196E+02
DAV: 3 -0.967162223163E+02 -0.99402E+02 -0.99099E+02 669 0.116E+02
DAV: 4 -0.101205458357E+03 -0.44892E+01 -0.44776E+01 712 0.284E+01
DAV: 5 -0.101294858481E+03 -0.89400E-01 -0.89349E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926407779016E+02 0.86541E+01 -0.30971E+01 728 0.300E+01 0.118E+01
DAV: 7 -0.917836309421E+02 0.85715E+00 -0.17225E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914103735961E+02 0.37326E+00 -0.54511E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.913302485770E+02 0.80125E-01 -0.12941E-01 712 0.154E+00 0.419E-01
DAV: 10 -0.913220934879E+02 0.81551E-02 -0.42990E-02 760 0.107E+00 0.296E-01
DAV: 11 -0.913268377707E+02 -0.47443E-02 -0.12392E-02 608 0.579E-01 0.142E-01
DAV: 12 -0.913297255913E+02 -0.28878E-02 -0.26376E-03 633 0.251E-01 0.951E-02
DAV: 13 -0.913331017978E+02 -0.33762E-02 -0.13530E-03 634 0.181E-01 0.472E-02
DAV: 14 -0.913368290593E+02 -0.37273E-02 -0.11118E-03 778 0.232E-01 0.491E-02
DAV: 15 -0.913375713264E+02 -0.74227E-03 -0.28700E-04 704 0.111E-01 0.361E-02
DAV: 16 -0.913384879716E+02 -0.91665E-03 -0.23599E-04 760 0.874E-02 0.138E-02
DAV: 17 -0.913393814981E+02 -0.89353E-03 -0.11337E-04 664 0.499E-02 0.153E-02
DAV: 18 -0.913396258673E+02 -0.24437E-03 -0.22079E-05 576 0.228E-02 0.109E-02
DAV: 19 -0.913397678923E+02 -0.14203E-03 -0.45806E-05 624 0.382E-02 0.678E-03
DAV: 20 -0.913397829813E+02 -0.15089E-04 -0.37374E-06 528 0.150E-02 0.464E-03
DAV: 21 -0.913397975697E+02 -0.14588E-04 -0.49217E-06 410 0.124E-02 0.132E-03
DAV: 22 -0.913398069214E+02 -0.93517E-05 -0.16358E-06 445 0.623E-03
1 F= -.91339807E+02 E0= -.91345055E+02 d E =0.157429E-01