iterations/neb0_image02_iter74_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 0.368148859823E+03 0.36815E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.465848828328E+01 -0.36349E+03 -0.34881E+03 834 0.195E+02
DAV: 3 -0.957048675221E+02 -0.10036E+03 -0.10003E+03 688 0.116E+02
DAV: 4 -0.100182340885E+03 -0.44775E+01 -0.44673E+01 688 0.279E+01
DAV: 5 -0.100269434759E+03 -0.87094E-01 -0.87050E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916555879242E+02 0.86138E+01 -0.30995E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908314911611E+02 0.82410E+00 -0.18252E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904434462967E+02 0.38804E+00 -0.55978E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903528012716E+02 0.90645E-01 -0.13954E-01 704 0.165E+00 0.433E-01
DAV: 10 -0.903462869429E+02 0.65143E-02 -0.47420E-02 712 0.127E+00 0.322E-01
DAV: 11 -0.903499996370E+02 -0.37127E-02 -0.72498E-03 608 0.485E-01 0.146E-01
DAV: 12 -0.903534316235E+02 -0.34320E-02 -0.71728E-03 618 0.469E-01 0.131E-01
DAV: 13 -0.903561398211E+02 -0.27082E-02 -0.14488E-03 920 0.325E-01 0.788E-02
DAV: 14 -0.903592560206E+02 -0.31162E-02 -0.13808E-03 637 0.178E-01 0.564E-02
DAV: 15 -0.903616356144E+02 -0.23796E-02 -0.39575E-04 677 0.112E-01 0.422E-02
DAV: 16 -0.903630677737E+02 -0.14322E-02 -0.61824E-04 656 0.138E-01 0.320E-02
DAV: 17 -0.903639437977E+02 -0.87602E-03 -0.18589E-04 834 0.937E-02 0.172E-02
DAV: 18 -0.903640821528E+02 -0.13836E-03 -0.35689E-05 720 0.323E-02 0.994E-03
DAV: 19 -0.903642729560E+02 -0.19080E-03 -0.32118E-05 537 0.279E-02 0.394E-03
DAV: 20 -0.903643119747E+02 -0.39019E-04 -0.32293E-06 477 0.944E-03 0.428E-03
DAV: 21 -0.903643603136E+02 -0.48339E-04 -0.66289E-06 400 0.141E-02 0.203E-03
DAV: 22 -0.903643703138E+02 -0.10000E-04 -0.33878E-06 477 0.845E-03 0.213E-03
DAV: 23 -0.903643720621E+02 -0.17483E-05 -0.60320E-07 525 0.474E-03
1 F= -.90364372E+02 E0= -.90370060E+02 d E =0.170625E-01