iterations/neb0_image07_iter170_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 0.371030471613E+03 0.37103E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.322012499805E+01 -0.36781E+03 -0.35515E+03 869 0.194E+02
DAV: 3 -0.963099458597E+02 -0.99530E+02 -0.99208E+02 672 0.116E+02
DAV: 4 -0.101012104944E+03 -0.47022E+01 -0.46909E+01 688 0.290E+01
DAV: 5 -0.101109992371E+03 -0.97887E-01 -0.97813E-01 736 0.373E+00 0.226E+01
DAV: 6 -0.925460501464E+02 0.85639E+01 -0.30477E+01 736 0.298E+01 0.118E+01
DAV: 7 -0.917006915899E+02 0.84536E+00 -0.17241E+00 712 0.615E+00 0.478E+00
DAV: 8 -0.913317877108E+02 0.36890E+00 -0.52286E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912506577121E+02 0.81130E-01 -0.13187E-01 728 0.159E+00 0.421E-01
DAV: 10 -0.912423904134E+02 0.82673E-02 -0.40988E-02 770 0.108E+00 0.292E-01
DAV: 11 -0.912464810075E+02 -0.40906E-02 -0.11191E-02 608 0.562E-01 0.133E-01
DAV: 12 -0.912493338554E+02 -0.28528E-02 -0.25917E-03 636 0.274E-01 0.880E-02
DAV: 13 -0.912531060814E+02 -0.37722E-02 -0.11643E-03 634 0.170E-01 0.569E-02
DAV: 14 -0.912557635005E+02 -0.26574E-02 -0.53003E-04 800 0.166E-01 0.320E-02
DAV: 15 -0.912576274654E+02 -0.18640E-02 -0.27263E-04 669 0.956E-02 0.320E-02
DAV: 16 -0.912589520209E+02 -0.13246E-02 -0.15510E-04 669 0.591E-02 0.134E-02
DAV: 17 -0.912596203930E+02 -0.66837E-03 -0.85406E-05 701 0.437E-02 0.116E-02
DAV: 18 -0.912599329404E+02 -0.31255E-03 -0.43107E-05 629 0.332E-02 0.447E-03
DAV: 19 -0.912599948805E+02 -0.61940E-04 -0.52054E-06 472 0.131E-02 0.293E-03
DAV: 20 -0.912600197201E+02 -0.24840E-04 -0.48239E-06 450 0.136E-02 0.210E-03
DAV: 21 -0.912600320274E+02 -0.12307E-04 -0.14998E-06 450 0.762E-03 0.177E-03
DAV: 22 -0.912600373676E+02 -0.53402E-05 -0.13902E-06 417 0.686E-03
1 F= -.91260037E+02 E0= -.91265832E+02 d E =0.173834E-01