iterations/neb0_image02_iter190_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 0.366885446503E+03 0.36689E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.214367139611E+01 -0.36474E+03 -0.35266E+03 861 0.195E+02
DAV: 3 -0.955444482446E+02 -0.97688E+02 -0.97354E+02 640 0.116E+02
DAV: 4 -0.100239106167E+03 -0.46947E+01 -0.46836E+01 720 0.295E+01
DAV: 5 -0.100331931885E+03 -0.92826E-01 -0.92790E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916742913614E+02 0.86576E+01 -0.30967E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908585654596E+02 0.81573E+00 -0.18451E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904780184414E+02 0.38055E+00 -0.55020E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903909867716E+02 0.87032E-01 -0.13732E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903856072341E+02 0.53795E-02 -0.50054E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903892821631E+02 -0.36749E-02 -0.81221E-03 616 0.597E-01 0.123E-01
DAV: 12 -0.903923332521E+02 -0.30511E-02 -0.70564E-03 648 0.427E-01 0.138E-01
DAV: 13 -0.903948176479E+02 -0.24844E-02 -0.19731E-03 853 0.348E-01 0.823E-02
DAV: 14 -0.903980768316E+02 -0.32592E-02 -0.14691E-03 623 0.181E-01 0.722E-02
DAV: 15 -0.903999027099E+02 -0.18259E-02 -0.30913E-04 696 0.105E-01 0.548E-02
DAV: 16 -0.904014152710E+02 -0.15126E-02 -0.11324E-03 680 0.198E-01 0.416E-02
DAV: 17 -0.904021124233E+02 -0.69715E-03 -0.16374E-04 736 0.889E-02 0.277E-02
DAV: 18 -0.904024234656E+02 -0.31104E-03 -0.79517E-05 680 0.422E-02 0.120E-02
DAV: 19 -0.904026035192E+02 -0.18005E-03 -0.53197E-05 658 0.389E-02 0.744E-03
DAV: 20 -0.904026311204E+02 -0.27601E-04 -0.52236E-06 520 0.158E-02 0.627E-03
DAV: 21 -0.904026857549E+02 -0.54635E-04 -0.11624E-05 417 0.184E-02 0.347E-03
DAV: 22 -0.904026937627E+02 -0.80078E-05 -0.45695E-06 488 0.128E-02
1 F= -.90402694E+02 E0= -.90409313E+02 d E =0.198565E-01