iterations/neb0_image02_iter114_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 0.367768850760E+03 0.36777E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.457740847650E+01 -0.36319E+03 -0.34857E+03 834 0.195E+02
DAV: 3 -0.955037932674E+02 -0.10008E+03 -0.99746E+02 672 0.116E+02
DAV: 4 -0.100186212806E+03 -0.46824E+01 -0.46709E+01 720 0.287E+01
DAV: 5 -0.100278053988E+03 -0.91841E-01 -0.91804E-01 728 0.360E+00 0.222E+01
DAV: 6 -0.916714422591E+02 0.86066E+01 -0.30867E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908502073186E+02 0.82123E+00 -0.18365E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904653931813E+02 0.38481E+00 -0.56051E-01 696 0.429E+00 0.169E+00
DAV: 9 -0.903762062087E+02 0.89187E-01 -0.13840E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903700094276E+02 0.61968E-02 -0.48227E-02 712 0.129E+00 0.325E-01
DAV: 11 -0.903735982469E+02 -0.35888E-02 -0.72623E-03 608 0.496E-01 0.149E-01
DAV: 12 -0.903769739577E+02 -0.33757E-02 -0.75642E-03 624 0.480E-01 0.133E-01
DAV: 13 -0.903797254708E+02 -0.27515E-02 -0.16165E-03 968 0.338E-01 0.815E-02
DAV: 14 -0.903827734568E+02 -0.30480E-02 -0.13676E-03 637 0.175E-01 0.582E-02
DAV: 15 -0.903850581877E+02 -0.22847E-02 -0.37920E-04 680 0.107E-01 0.441E-02
DAV: 16 -0.903865046270E+02 -0.14464E-02 -0.65242E-04 656 0.146E-01 0.315E-02
DAV: 17 -0.903873773782E+02 -0.87275E-03 -0.14893E-04 669 0.830E-02 0.212E-02
DAV: 18 -0.903875423706E+02 -0.16499E-03 -0.57663E-05 704 0.382E-02 0.999E-03
DAV: 19 -0.903877118473E+02 -0.16948E-03 -0.28272E-05 522 0.280E-02 0.359E-03
DAV: 20 -0.903877635496E+02 -0.51702E-04 -0.44125E-06 469 0.129E-02 0.409E-03
DAV: 21 -0.903877978965E+02 -0.34347E-04 -0.71780E-06 429 0.159E-02 0.576E-03
DAV: 22 -0.903878179425E+02 -0.20046E-04 -0.50332E-06 474 0.147E-02 0.292E-03
DAV: 23 -0.903878201494E+02 -0.22069E-05 -0.38516E-06 536 0.109E-02
1 F= -.90387820E+02 E0= -.90393528E+02 d E =0.171223E-01