./iterations/neb0_image03_iter60_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 0.367996805901E+03 0.36800E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.393891596701E+01 -0.36406E+03 -0.35082E+03 845 0.195E+02
DAV: 3 -0.953791576852E+02 -0.99318E+02 -0.98988E+02 656 0.116E+02
DAV: 4 -0.100094801917E+03 -0.47156E+01 -0.47054E+01 712 0.294E+01
DAV: 5 -0.100186714513E+03 -0.91913E-01 -0.91874E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915672136883E+02 0.86195E+01 -0.30770E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907241093108E+02 0.84310E+00 -0.18740E+00 712 0.642E+00 0.483E+00
DAV: 8 -0.903197511097E+02 0.40436E+00 -0.56715E-01 696 0.433E+00 0.166E+00
DAV: 9 -0.902231603811E+02 0.96591E-01 -0.14366E-01 704 0.175E+00 0.436E-01
DAV: 10 -0.902148266233E+02 0.83338E-02 -0.48633E-02 696 0.121E+00 0.330E-01
DAV: 11 -0.902185233363E+02 -0.36967E-02 -0.77553E-03 616 0.516E-01 0.125E-01
DAV: 12 -0.902217219715E+02 -0.31986E-02 -0.57635E-03 620 0.367E-01 0.132E-01
DAV: 13 -0.902247492590E+02 -0.30273E-02 -0.16543E-03 856 0.344E-01 0.741E-02
DAV: 14 -0.902282605066E+02 -0.35112E-02 -0.12143E-03 623 0.175E-01 0.543E-02
DAV: 15 -0.902306158378E+02 -0.23553E-02 -0.32012E-04 680 0.945E-02 0.377E-02
DAV: 16 -0.902322279115E+02 -0.16121E-02 -0.54080E-04 680 0.128E-01 0.303E-02
DAV: 17 -0.902330816214E+02 -0.85371E-03 -0.12623E-04 720 0.738E-02 0.195E-02
DAV: 18 -0.902334228071E+02 -0.34119E-03 -0.10668E-04 664 0.639E-02 0.881E-03
DAV: 19 -0.902335893044E+02 -0.16650E-03 -0.15714E-05 466 0.229E-02 0.619E-03
DAV: 20 -0.902336574414E+02 -0.68137E-04 -0.14353E-05 464 0.202E-02 0.412E-03
DAV: 21 -0.902337127057E+02 -0.55264E-04 -0.13352E-05 451 0.217E-02 0.595E-03
DAV: 22 -0.902337168063E+02 -0.41006E-05 -0.44373E-06 480 0.152E-02
1 F= -.90233717E+02 E0= -.90241324E+02 d E =0.228203E-01