./iterations/neb0_image06_iter193_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 0.371515944077E+03 0.37152E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.452402257469E+01 -0.36699E+03 -0.35499E+03 858 0.193E+02
DAV: 3 -0.958597926358E+02 -0.10038E+03 -0.10004E+03 685 0.116E+02
DAV: 4 -0.100498569411E+03 -0.46388E+01 -0.46262E+01 720 0.283E+01
DAV: 5 -0.100591938108E+03 -0.93369E-01 -0.93315E-01 736 0.358E+00 0.226E+01
DAV: 6 -0.920052327258E+02 0.85867E+01 -0.30601E+01 709 0.302E+01 0.118E+01
DAV: 7 -0.911724593558E+02 0.83277E+00 -0.17608E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.907957981037E+02 0.37666E+00 -0.54280E-01 704 0.411E+00 0.166E+00
DAV: 9 -0.907057189557E+02 0.90079E-01 -0.12855E-01 704 0.158E+00 0.421E-01
DAV: 10 -0.906956063744E+02 0.10113E-01 -0.38654E-02 760 0.978E-01 0.288E-01
DAV: 11 -0.907000298462E+02 -0.44235E-02 -0.10536E-02 602 0.535E-01 0.153E-01
DAV: 12 -0.907023947651E+02 -0.23649E-02 -0.21036E-03 640 0.249E-01 0.882E-02
DAV: 13 -0.907067545154E+02 -0.43598E-02 -0.20004E-03 636 0.219E-01 0.597E-02
DAV: 14 -0.907092582382E+02 -0.25037E-02 -0.60404E-04 896 0.190E-01 0.333E-02
DAV: 15 -0.907118279607E+02 -0.25697E-02 -0.45670E-04 618 0.103E-01 0.349E-02
DAV: 16 -0.907128950012E+02 -0.10670E-02 -0.12198E-04 688 0.678E-02 0.152E-02
DAV: 17 -0.907138629958E+02 -0.96799E-03 -0.21542E-04 626 0.780E-02 0.191E-02
DAV: 18 -0.907140406478E+02 -0.17765E-03 -0.30213E-05 640 0.385E-02 0.109E-02
DAV: 19 -0.907141485049E+02 -0.10786E-03 -0.33412E-05 554 0.323E-02 0.537E-03
DAV: 20 -0.907142009230E+02 -0.52418E-04 -0.58693E-06 461 0.167E-02 0.270E-03
DAV: 21 -0.907142339817E+02 -0.33059E-04 -0.77014E-06 410 0.156E-02 0.266E-03
DAV: 22 -0.907142423822E+02 -0.84005E-05 -0.12862E-06 480 0.749E-03
1 F= -.90714242E+02 E0= -.90719111E+02 d E =0.146059E-01