./iterations/neb0_image07_iter299_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 0.373448062973E+03 0.37345E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.388584689683E+01 -0.36956E+03 -0.35845E+03 866 0.194E+02
DAV: 3 -0.965192260805E+02 -0.10041E+03 -0.10008E+03 656 0.117E+02
DAV: 4 -0.101256681786E+03 -0.47375E+01 -0.47252E+01 712 0.293E+01
DAV: 5 -0.101349682160E+03 -0.93000E-01 -0.92960E-01 728 0.370E+00 0.229E+01
DAV: 6 -0.926046147827E+02 0.87451E+01 -0.31053E+01 714 0.302E+01 0.120E+01
DAV: 7 -0.917162915581E+02 0.88832E+00 -0.17339E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.913346875110E+02 0.38160E+00 -0.52672E-01 736 0.388E+00 0.165E+00
DAV: 9 -0.912467090237E+02 0.87978E-01 -0.13423E-01 736 0.155E+00 0.426E-01
DAV: 10 -0.912371494711E+02 0.95596E-02 -0.48692E-02 781 0.115E+00 0.309E-01
DAV: 11 -0.912421689942E+02 -0.50195E-02 -0.15650E-02 610 0.667E-01 0.163E-01
DAV: 12 -0.912446499606E+02 -0.24810E-02 -0.27757E-03 636 0.239E-01 0.123E-01
DAV: 13 -0.912489699980E+02 -0.43200E-02 -0.38487E-03 636 0.318E-01 0.670E-02
DAV: 14 -0.912517290669E+02 -0.27591E-02 -0.75997E-04 696 0.167E-01 0.268E-02
DAV: 15 -0.912540852177E+02 -0.23562E-02 -0.31319E-04 647 0.746E-02 0.200E-02
DAV: 16 -0.912551239175E+02 -0.10387E-02 -0.95503E-05 693 0.553E-02 0.133E-02
DAV: 17 -0.912556738532E+02 -0.54994E-03 -0.99306E-05 639 0.462E-02 0.118E-02
DAV: 18 -0.912558001496E+02 -0.12630E-03 -0.36030E-05 632 0.460E-02 0.577E-03
DAV: 19 -0.912558666419E+02 -0.66492E-04 -0.12149E-05 420 0.186E-02 0.408E-03
DAV: 20 -0.912558919826E+02 -0.25341E-04 -0.47567E-06 472 0.107E-02 0.163E-03
DAV: 21 -0.912559042844E+02 -0.12302E-04 -0.25396E-06 416 0.725E-03 0.766E-04
DAV: 22 -0.912559060309E+02 -0.17465E-05 -0.56783E-07 512 0.354E-03
1 F= -.91255906E+02 E0= -.91260667E+02 d E =0.142832E-01