./iterations/neb0_image01_iter127_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 0.366298324682E+03 0.36630E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.334227479962E+01 -0.36296E+03 -0.34976E+03 839 0.195E+02
DAV: 3 -0.957055549162E+02 -0.99048E+02 -0.98704E+02 677 0.116E+02
DAV: 4 -0.100215711313E+03 -0.45102E+01 -0.45003E+01 696 0.282E+01
DAV: 5 -0.100305828841E+03 -0.90118E-01 -0.90069E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916849932475E+02 0.86208E+01 -0.31092E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908752340149E+02 0.80976E+00 -0.18243E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904960763332E+02 0.37916E+00 -0.55892E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904128256849E+02 0.83251E-01 -0.13558E-01 712 0.164E+00 0.426E-01
DAV: 10 -0.904077648186E+02 0.50609E-02 -0.44969E-02 720 0.123E+00 0.314E-01
DAV: 11 -0.904116722038E+02 -0.39074E-02 -0.64667E-03 608 0.482E-01 0.138E-01
DAV: 12 -0.904152702564E+02 -0.35981E-02 -0.69037E-03 626 0.486E-01 0.128E-01
DAV: 13 -0.904179015521E+02 -0.26313E-02 -0.14881E-03 848 0.310E-01 0.736E-02
DAV: 14 -0.904208563118E+02 -0.29548E-02 -0.13275E-03 642 0.171E-01 0.573E-02
DAV: 15 -0.904228584705E+02 -0.20022E-02 -0.36631E-04 664 0.114E-01 0.452E-02
DAV: 16 -0.904242463182E+02 -0.13878E-02 -0.76478E-04 653 0.164E-01 0.349E-02
DAV: 17 -0.904250021260E+02 -0.75581E-03 -0.14984E-04 757 0.897E-02 0.224E-02
DAV: 18 -0.904252096438E+02 -0.20752E-03 -0.63787E-05 664 0.388E-02 0.113E-02
DAV: 19 -0.904254033230E+02 -0.19368E-03 -0.50500E-05 633 0.350E-02 0.668E-03
DAV: 20 -0.904254206883E+02 -0.17365E-04 -0.35395E-06 528 0.134E-02 0.641E-03
DAV: 21 -0.904254590619E+02 -0.38374E-04 -0.68368E-06 398 0.150E-02 0.440E-03
DAV: 22 -0.904254720618E+02 -0.13000E-04 -0.39850E-06 477 0.132E-02 0.220E-03
DAV: 23 -0.904254737892E+02 -0.17274E-05 -0.21446E-06 528 0.863E-03
1 F= -.90425474E+02 E0= -.90430710E+02 d E =0.157101E-01