iterations/neb0_image06_iter280_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 0.373675128839E+03 0.37368E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.662766881653E+01 -0.36705E+03 -0.35415E+03 842 0.194E+02
DAV: 3 -0.945421427082E+02 -0.10117E+03 -0.10074E+03 688 0.117E+02
DAV: 4 -0.992276460462E+02 -0.46855E+01 -0.46682E+01 720 0.285E+01
DAV: 5 -0.993222258465E+02 -0.94580E-01 -0.94526E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.909402346678E+02 0.83820E+01 -0.29635E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.901196358561E+02 0.82060E+00 -0.16561E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.897381233615E+02 0.38151E+00 -0.58362E-01 704 0.421E+00 0.160E+00
DAV: 9 -0.896518760454E+02 0.86247E-01 -0.12194E-01 704 0.161E+00 0.436E-01
DAV: 10 -0.896418706358E+02 0.10005E-01 -0.38954E-02 720 0.968E-01 0.303E-01
DAV: 11 -0.896461209778E+02 -0.42503E-02 -0.12859E-02 608 0.642E-01 0.184E-01
DAV: 12 -0.896470565364E+02 -0.93556E-03 -0.34999E-03 672 0.362E-01 0.985E-02
DAV: 13 -0.896517481751E+02 -0.46916E-02 -0.31981E-03 638 0.305E-01 0.879E-02
DAV: 14 -0.896535675451E+02 -0.18194E-02 -0.55693E-04 816 0.187E-01 0.412E-02
DAV: 15 -0.896568672742E+02 -0.32997E-02 -0.81185E-04 627 0.150E-01 0.362E-02
DAV: 16 -0.896586782197E+02 -0.18109E-02 -0.20237E-04 677 0.911E-02 0.144E-02
DAV: 17 -0.896595937047E+02 -0.91549E-03 -0.22216E-04 749 0.784E-02 0.224E-02
DAV: 18 -0.896599569684E+02 -0.36326E-03 -0.67282E-05 656 0.601E-02 0.808E-03
DAV: 19 -0.896600170347E+02 -0.60066E-04 -0.17408E-05 504 0.229E-02 0.500E-03
DAV: 20 -0.896601179319E+02 -0.10090E-03 -0.13328E-05 419 0.196E-02 0.234E-03
DAV: 21 -0.896601530029E+02 -0.35071E-04 -0.38876E-06 472 0.860E-03 0.247E-03
DAV: 22 -0.896601672572E+02 -0.14254E-04 -0.16942E-06 421 0.683E-03 0.129E-03
DAV: 23 -0.896601741354E+02 -0.68782E-05 -0.16802E-06 443 0.614E-03
1 F= -.89660174E+02 E0= -.89664946E+02 d E =0.143150E-01