./iterations/neb0_image09_iter216_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 0.374064676282E+03 0.37406E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.327700591227E+01 -0.37079E+03 -0.35813E+03 869 0.196E+02
DAV: 3 -0.967337841539E+02 -0.10001E+03 -0.99681E+02 661 0.117E+02
DAV: 4 -0.101266897556E+03 -0.45331E+01 -0.45226E+01 720 0.287E+01
DAV: 5 -0.101355672917E+03 -0.88775E-01 -0.88735E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926801849377E+02 0.86755E+01 -0.30993E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918109236698E+02 0.86926E+00 -0.17212E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914350476990E+02 0.37588E+00 -0.54408E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913539091949E+02 0.81139E-01 -0.13132E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913456915662E+02 0.82176E-02 -0.44303E-02 768 0.110E+00 0.300E-01
DAV: 11 -0.913500867097E+02 -0.43951E-02 -0.11886E-02 616 0.569E-01 0.132E-01
DAV: 12 -0.913533034948E+02 -0.32168E-02 -0.28730E-03 623 0.245E-01 0.110E-01
DAV: 13 -0.913568139370E+02 -0.35104E-02 -0.13277E-03 690 0.200E-01 0.429E-02
DAV: 14 -0.913600772352E+02 -0.32633E-02 -0.66218E-04 664 0.145E-01 0.355E-02
DAV: 15 -0.913614062713E+02 -0.13290E-02 -0.13093E-04 744 0.766E-02 0.331E-02
DAV: 16 -0.913628627908E+02 -0.14565E-02 -0.34527E-04 656 0.942E-02 0.183E-02
DAV: 17 -0.913632429045E+02 -0.38011E-03 -0.69256E-05 736 0.611E-02 0.124E-02
DAV: 18 -0.913634624070E+02 -0.21950E-03 -0.31900E-05 576 0.244E-02 0.885E-03
DAV: 19 -0.913635456960E+02 -0.83289E-04 -0.10312E-05 480 0.156E-02 0.360E-03
DAV: 20 -0.913635792945E+02 -0.33599E-04 -0.59439E-06 440 0.142E-02 0.160E-03
DAV: 21 -0.913635945580E+02 -0.15263E-04 -0.25048E-06 445 0.677E-03 0.193E-03
DAV: 22 -0.913635979139E+02 -0.33560E-05 -0.60102E-07 488 0.448E-03
1 F= -.91363598E+02 E0= -.91368446E+02 d E =0.145443E-01