iterations/neb0_image01_iter98_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 0.366483555887E+03 0.36648E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.341800057214E+01 -0.36307E+03 -0.34971E+03 839 0.195E+02
DAV: 3 -0.956870436391E+02 -0.99105E+02 -0.98763E+02 680 0.116E+02
DAV: 4 -0.100194899250E+03 -0.45079E+01 -0.44986E+01 677 0.282E+01
DAV: 5 -0.100285620611E+03 -0.90721E-01 -0.90666E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916786192991E+02 0.86070E+01 -0.31111E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908686423343E+02 0.80998E+00 -0.18195E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904892180124E+02 0.37942E+00 -0.55568E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.904045734060E+02 0.84645E-01 -0.13565E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903992647935E+02 0.53086E-02 -0.45708E-02 720 0.125E+00 0.316E-01
DAV: 11 -0.904031745041E+02 -0.39097E-02 -0.68259E-03 608 0.485E-01 0.139E-01
DAV: 12 -0.904067130485E+02 -0.35385E-02 -0.68429E-03 629 0.477E-01 0.127E-01
DAV: 13 -0.904093674739E+02 -0.26544E-02 -0.14079E-03 848 0.308E-01 0.760E-02
DAV: 14 -0.904123412643E+02 -0.29738E-02 -0.14109E-03 634 0.179E-01 0.585E-02
DAV: 15 -0.904144013747E+02 -0.20601E-02 -0.38952E-04 680 0.120E-01 0.457E-02
DAV: 16 -0.904157173811E+02 -0.13160E-02 -0.74976E-04 653 0.160E-01 0.351E-02
DAV: 17 -0.904165540212E+02 -0.83664E-03 -0.18158E-04 845 0.946E-02 0.213E-02
DAV: 18 -0.904166948356E+02 -0.14081E-03 -0.37018E-05 696 0.315E-02 0.142E-02
DAV: 19 -0.904169579757E+02 -0.26314E-03 -0.68017E-05 633 0.429E-02 0.620E-03
DAV: 20 -0.904169786958E+02 -0.20720E-04 -0.54197E-06 488 0.143E-02 0.619E-03
DAV: 21 -0.904170154926E+02 -0.36797E-04 -0.62853E-06 406 0.159E-02 0.435E-03
DAV: 22 -0.904170361875E+02 -0.20695E-04 -0.38188E-06 477 0.107E-02 0.310E-03
DAV: 23 -0.904170388652E+02 -0.26777E-05 -0.28256E-06 520 0.938E-03
1 F= -.90417039E+02 E0= -.90422176E+02 d E =0.154120E-01