./iterations/neb0_image05_iter194_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 0.368239890673E+03 0.36824E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.320810740060E+01 -0.36503E+03 -0.35220E+03 864 0.195E+02
DAV: 3 -0.954417478894E+02 -0.98650E+02 -0.98321E+02 677 0.116E+02
DAV: 4 -0.999739747691E+02 -0.45322E+01 -0.45212E+01 696 0.280E+01
DAV: 5 -0.100066575536E+03 -0.92601E-01 -0.92551E-01 728 0.352E+00 0.221E+01
DAV: 6 -0.915570562954E+02 0.85095E+01 -0.30801E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.907771736563E+02 0.77988E+00 -0.18372E+00 728 0.637E+00 0.482E+00
DAV: 8 -0.904068823002E+02 0.37029E+00 -0.52350E-01 720 0.421E+00 0.171E+00
DAV: 9 -0.903186388612E+02 0.88243E-01 -0.14066E-01 712 0.172E+00 0.435E-01
DAV: 10 -0.903114011721E+02 0.72377E-02 -0.42370E-02 784 0.124E+00 0.310E-01
DAV: 11 -0.903146460104E+02 -0.32448E-02 -0.72178E-03 616 0.508E-01 0.154E-01
DAV: 12 -0.903170515529E+02 -0.24055E-02 -0.51772E-03 626 0.458E-01 0.105E-01
DAV: 13 -0.903203457408E+02 -0.32942E-02 -0.11593E-03 672 0.215E-01 0.872E-02
DAV: 14 -0.903233806926E+02 -0.30350E-02 -0.15296E-03 652 0.195E-01 0.497E-02
DAV: 15 -0.903262169998E+02 -0.28363E-02 -0.62462E-04 696 0.166E-01 0.387E-02
DAV: 16 -0.903275790356E+02 -0.13620E-02 -0.43958E-04 680 0.106E-01 0.308E-02
DAV: 17 -0.903283043102E+02 -0.72527E-03 -0.17676E-04 733 0.946E-02 0.158E-02
DAV: 18 -0.903285451135E+02 -0.24080E-03 -0.69985E-05 704 0.431E-02 0.150E-02
DAV: 19 -0.903287297069E+02 -0.18459E-03 -0.29974E-05 562 0.311E-02 0.657E-03
DAV: 20 -0.903288121315E+02 -0.82425E-04 -0.12333E-05 480 0.213E-02 0.391E-03
DAV: 21 -0.903288410405E+02 -0.28909E-04 -0.85476E-06 464 0.150E-02 0.380E-03
DAV: 22 -0.903288459643E+02 -0.49238E-05 -0.13682E-06 512 0.798E-03
1 F= -.90328846E+02 E0= -.90335701E+02 d E =0.205666E-01