./iterations/neb0_image02_iter38_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 0.368903089887E+03 0.36890E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.439122297709E+01 -0.36451E+03 -0.34977E+03 842 0.195E+02
DAV: 3 -0.953901228923E+02 -0.99781E+02 -0.99441E+02 656 0.116E+02
DAV: 4 -0.100177721495E+03 -0.47876E+01 -0.47759E+01 720 0.294E+01
DAV: 5 -0.100271332553E+03 -0.93611E-01 -0.93572E-01 736 0.369E+00 0.223E+01
DAV: 6 -0.915879878619E+02 0.86833E+01 -0.30888E+01 688 0.300E+01 0.118E+01
DAV: 7 -0.907574706372E+02 0.83052E+00 -0.18557E+00 712 0.634E+00 0.483E+00
DAV: 8 -0.903700064618E+02 0.38746E+00 -0.54980E-01 688 0.423E+00 0.171E+00
DAV: 9 -0.902766554671E+02 0.93351E-01 -0.14253E-01 696 0.167E+00 0.431E-01
DAV: 10 -0.902699124032E+02 0.67431E-02 -0.44503E-02 709 0.122E+00 0.314E-01
DAV: 11 -0.902738573305E+02 -0.39449E-02 -0.70316E-03 613 0.480E-01 0.137E-01
DAV: 12 -0.902771652253E+02 -0.33079E-02 -0.59301E-03 621 0.418E-01 0.123E-01
DAV: 13 -0.902800377056E+02 -0.28725E-02 -0.12097E-03 909 0.296E-01 0.729E-02
DAV: 14 -0.902831853541E+02 -0.31476E-02 -0.11917E-03 629 0.163E-01 0.516E-02
DAV: 15 -0.902855110099E+02 -0.23257E-02 -0.33086E-04 704 0.105E-01 0.346E-02
DAV: 16 -0.902870220140E+02 -0.15110E-02 -0.50586E-04 650 0.123E-01 0.316E-02
DAV: 17 -0.902877831463E+02 -0.76113E-03 -0.15379E-04 856 0.883E-02 0.149E-02
DAV: 18 -0.902879179879E+02 -0.13484E-03 -0.33641E-05 656 0.332E-02 0.740E-03
DAV: 19 -0.902881671310E+02 -0.24914E-03 -0.34514E-05 572 0.264E-02 0.485E-03
DAV: 20 -0.902881981599E+02 -0.31029E-04 -0.17749E-06 496 0.920E-03 0.401E-03
DAV: 21 -0.902882617211E+02 -0.63561E-04 -0.14912E-05 432 0.242E-02 0.383E-03
DAV: 22 -0.902882702938E+02 -0.85727E-05 -0.26709E-06 485 0.104E-02
1 F= -.90288270E+02 E0= -.90293852E+02 d E =0.167437E-01