./iterations/neb0_image01_iter103_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 0.366309691969E+03 0.36631E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.339719382335E+01 -0.36291E+03 -0.34958E+03 839 0.195E+02
DAV: 3 -0.956751168097E+02 -0.99072E+02 -0.98729E+02 680 0.116E+02
DAV: 4 -0.100186693982E+03 -0.45116E+01 -0.45022E+01 685 0.282E+01
DAV: 5 -0.100277324250E+03 -0.90630E-01 -0.90575E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916765319649E+02 0.86008E+01 -0.31110E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908696442596E+02 0.80689E+00 -0.18187E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904908640080E+02 0.37878E+00 -0.55579E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.904064178297E+02 0.84446E-01 -0.13512E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904011848710E+02 0.52330E-02 -0.45798E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904050788536E+02 -0.38940E-02 -0.67862E-03 608 0.486E-01 0.138E-01
DAV: 12 -0.904086341486E+02 -0.35553E-02 -0.69395E-03 629 0.477E-01 0.129E-01
DAV: 13 -0.904112763270E+02 -0.26422E-02 -0.14708E-03 848 0.313E-01 0.762E-02
DAV: 14 -0.904142446426E+02 -0.29683E-02 -0.14163E-03 634 0.179E-01 0.597E-02
DAV: 15 -0.904162794947E+02 -0.20349E-02 -0.38253E-04 680 0.119E-01 0.462E-02
DAV: 16 -0.904176156181E+02 -0.13361E-02 -0.79353E-04 653 0.165E-01 0.364E-02
DAV: 17 -0.904184323447E+02 -0.81673E-03 -0.17938E-04 845 0.942E-02 0.219E-02
DAV: 18 -0.904185798251E+02 -0.14748E-03 -0.38695E-05 696 0.320E-02 0.143E-02
DAV: 19 -0.904188415442E+02 -0.26172E-03 -0.66592E-05 633 0.423E-02 0.598E-03
DAV: 20 -0.904188618959E+02 -0.20352E-04 -0.55937E-06 496 0.147E-02 0.614E-03
DAV: 21 -0.904188987507E+02 -0.36855E-04 -0.65577E-06 403 0.161E-02 0.459E-03
DAV: 22 -0.904189207712E+02 -0.22021E-04 -0.38397E-06 477 0.111E-02 0.318E-03
DAV: 23 -0.904189233444E+02 -0.25732E-05 -0.33856E-06 528 0.103E-02
1 F= -.90418923E+02 E0= -.90423995E+02 d E =0.152151E-01