./iterations/neb0_image04_iter151_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 0.364223123028E+03 0.36422E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.119983212396E+01 -0.36302E+03 -0.35015E+03 874 0.194E+02
DAV: 3 -0.957441751835E+02 -0.96944E+02 -0.96620E+02 658 0.115E+02
DAV: 4 -0.100109835250E+03 -0.43657E+01 -0.43547E+01 720 0.282E+01
DAV: 5 -0.100192854676E+03 -0.83019E-01 -0.82987E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915398959523E+02 0.86530E+01 -0.30709E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906905203750E+02 0.84938E+00 -0.18080E+00 712 0.631E+00 0.482E+00
DAV: 8 -0.902885445450E+02 0.40198E+00 -0.55363E-01 712 0.420E+00 0.165E+00
DAV: 9 -0.901922798330E+02 0.96265E-01 -0.13483E-01 728 0.174E+00 0.436E-01
DAV: 10 -0.901834033088E+02 0.88765E-02 -0.39224E-02 712 0.992E-01 0.327E-01
DAV: 11 -0.901894517989E+02 -0.60485E-02 -0.16825E-02 640 0.847E-01 0.240E-01
DAV: 12 -0.901893919034E+02 0.59896E-04 -0.36538E-03 704 0.426E-01 0.154E-01
DAV: 13 -0.901925380392E+02 -0.31461E-02 -0.49499E-03 629 0.401E-01 0.897E-02
DAV: 14 -0.901964653582E+02 -0.39273E-02 -0.98436E-04 631 0.157E-01 0.700E-02
DAV: 15 -0.901992487368E+02 -0.27834E-02 -0.66706E-04 744 0.156E-01 0.354E-02
DAV: 16 -0.902009597877E+02 -0.17111E-02 -0.45344E-04 672 0.121E-01 0.321E-02
DAV: 17 -0.902020788373E+02 -0.11190E-02 -0.14053E-04 671 0.690E-02 0.184E-02
DAV: 18 -0.902026268101E+02 -0.54797E-03 -0.84830E-05 658 0.505E-02 0.709E-03
DAV: 19 -0.902029260831E+02 -0.29927E-03 -0.37300E-05 591 0.250E-02 0.777E-03
DAV: 20 -0.902030383199E+02 -0.11224E-03 -0.96248E-06 472 0.183E-02 0.574E-03
DAV: 21 -0.902030904999E+02 -0.52180E-04 -0.14022E-05 474 0.188E-02 0.464E-03
DAV: 22 -0.902030970829E+02 -0.65830E-05 -0.32412E-06 536 0.127E-02
1 F= -.90203097E+02 E0= -.90212541E+02 d E =0.283328E-01