./iterations/neb0_image08_iter60_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 0.376128581133E+03 0.37613E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.378467590523E+01 -0.37234E+03 -0.35866E+03 869 0.196E+02
DAV: 3 -0.967634078353E+02 -0.10055E+03 -0.10022E+03 688 0.117E+02
DAV: 4 -0.101104955720E+03 -0.43415E+01 -0.43317E+01 696 0.275E+01
DAV: 5 -0.101190001710E+03 -0.85046E-01 -0.85009E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925655973516E+02 0.86244E+01 -0.30826E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916933459941E+02 0.87225E+00 -0.16792E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913129387078E+02 0.38041E+00 -0.56013E-01 704 0.404E+00 0.163E+00
DAV: 9 -0.912291566801E+02 0.83782E-01 -0.12910E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912195494864E+02 0.96072E-02 -0.48049E-02 736 0.113E+00 0.311E-01
DAV: 11 -0.912244836300E+02 -0.49341E-02 -0.15257E-02 613 0.636E-01 0.168E-01
DAV: 12 -0.912272720694E+02 -0.27884E-02 -0.32562E-03 639 0.244E-01 0.134E-01
DAV: 13 -0.912314026209E+02 -0.41306E-02 -0.27957E-03 717 0.299E-01 0.550E-02
DAV: 14 -0.912342730260E+02 -0.28704E-02 -0.46138E-04 664 0.109E-01 0.414E-02
DAV: 15 -0.912365618747E+02 -0.22888E-02 -0.22960E-04 642 0.633E-02 0.276E-02
DAV: 16 -0.912375412394E+02 -0.97936E-03 -0.28630E-04 680 0.806E-02 0.245E-02
DAV: 17 -0.912378375996E+02 -0.29636E-03 -0.42707E-05 589 0.404E-02 0.125E-02
DAV: 18 -0.912380367735E+02 -0.19917E-03 -0.38084E-05 581 0.263E-02 0.576E-03
DAV: 19 -0.912380687566E+02 -0.31983E-04 -0.46402E-06 528 0.165E-02 0.270E-03
DAV: 20 -0.912381097879E+02 -0.41031E-04 -0.64657E-06 392 0.129E-02 0.354E-03
DAV: 21 -0.912381204366E+02 -0.10649E-04 -0.13758E-06 469 0.700E-03 0.255E-03
DAV: 22 -0.912381241013E+02 -0.36647E-05 -0.26629E-06 442 0.106E-02
1 F= -.91238124E+02 E0= -.91242901E+02 d E =0.143293E-01