./iterations/neb0_image05_iter255_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 0.367202983934E+03 0.36720E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.444433313906E+01 -0.36276E+03 -0.34886E+03 842 0.195E+02
DAV: 3 -0.954868022705E+02 -0.99931E+02 -0.99585E+02 672 0.117E+02
DAV: 4 -0.100119692763E+03 -0.46329E+01 -0.46223E+01 704 0.289E+01
DAV: 5 -0.100209538980E+03 -0.89846E-01 -0.89808E-01 736 0.362E+00 0.221E+01
DAV: 6 -0.916025878203E+02 0.86070E+01 -0.31131E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907921500402E+02 0.81044E+00 -0.17665E+00 712 0.624E+00 0.482E+00
DAV: 8 -0.904178249852E+02 0.37433E+00 -0.53734E-01 736 0.425E+00 0.168E+00
DAV: 9 -0.903287156895E+02 0.89109E-01 -0.12900E-01 720 0.166E+00 0.434E-01
DAV: 10 -0.903206946882E+02 0.80210E-02 -0.43245E-02 728 0.117E+00 0.337E-01
DAV: 11 -0.903227658248E+02 -0.20711E-02 -0.48965E-03 616 0.470E-01 0.181E-01
DAV: 12 -0.903260392152E+02 -0.32734E-02 -0.95224E-03 613 0.548E-01 0.152E-01
DAV: 13 -0.903278381201E+02 -0.17989E-02 -0.15933E-03 744 0.269E-01 0.990E-02
DAV: 14 -0.903322817942E+02 -0.44437E-02 -0.31820E-03 635 0.317E-01 0.740E-02
DAV: 15 -0.903347608011E+02 -0.24790E-02 -0.39505E-04 709 0.122E-01 0.606E-02
DAV: 16 -0.903372982008E+02 -0.25374E-02 -0.11679E-03 668 0.204E-01 0.346E-02
DAV: 17 -0.903379291499E+02 -0.63095E-03 -0.13852E-04 728 0.821E-02 0.267E-02
DAV: 18 -0.903385437029E+02 -0.61455E-03 -0.16663E-04 636 0.719E-02 0.131E-02
DAV: 19 -0.903388143247E+02 -0.27062E-03 -0.46855E-05 672 0.351E-02 0.902E-03
DAV: 20 -0.903388965151E+02 -0.82190E-04 -0.77745E-06 474 0.142E-02 0.629E-03
DAV: 21 -0.903389456554E+02 -0.49140E-04 -0.13645E-05 441 0.241E-02 0.325E-03
DAV: 22 -0.903389554244E+02 -0.97690E-05 -0.64649E-06 498 0.136E-02
1 F= -.90338955E+02 E0= -.90347320E+02 d E =0.250929E-01