iterations/neb0_image05_iter40_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 0.372783403577E+03 0.37278E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.441821396287E+01 -0.36837E+03 -0.35684E+03 877 0.195E+02
DAV: 3 -0.934757853486E+02 -0.97894E+02 -0.97519E+02 632 0.116E+02
DAV: 4 -0.983330457097E+02 -0.48573E+01 -0.48425E+01 712 0.303E+01
DAV: 5 -0.984357752787E+02 -0.10273E+00 -0.10269E+00 696 0.395E+00 0.221E+01
DAV: 6 -0.900934189753E+02 0.83424E+01 -0.29569E+01 685 0.298E+01 0.114E+01
DAV: 7 -0.892555042672E+02 0.83791E+00 -0.16510E+00 712 0.649E+00 0.471E+00
DAV: 8 -0.888763810752E+02 0.37912E+00 -0.57679E-01 712 0.416E+00 0.165E+00
DAV: 9 -0.887864566692E+02 0.89924E-01 -0.13610E-01 720 0.172E+00 0.454E-01
DAV: 10 -0.887767209332E+02 0.97357E-02 -0.24494E-02 792 0.861E-01 0.290E-01
DAV: 11 -0.887791000414E+02 -0.23791E-02 -0.13323E-02 602 0.734E-01 0.166E-01
DAV: 12 -0.887807031034E+02 -0.16031E-02 -0.29937E-03 792 0.392E-01 0.108E-01
DAV: 13 -0.887852124886E+02 -0.45094E-02 -0.44741E-03 623 0.408E-01 0.107E-01
DAV: 14 -0.887874011467E+02 -0.21887E-02 -0.66274E-04 752 0.214E-01 0.607E-02
DAV: 15 -0.887904313103E+02 -0.30302E-02 -0.18212E-03 631 0.253E-01 0.567E-02
DAV: 16 -0.887922497060E+02 -0.18184E-02 -0.50337E-04 869 0.174E-01 0.233E-02
DAV: 17 -0.887930856382E+02 -0.83593E-03 -0.17539E-04 696 0.718E-02 0.173E-02
DAV: 18 -0.887939536426E+02 -0.86800E-03 -0.12565E-04 630 0.535E-02 0.106E-02
DAV: 19 -0.887941350598E+02 -0.18142E-03 -0.21690E-05 557 0.325E-02 0.625E-03
DAV: 20 -0.887942839927E+02 -0.14893E-03 -0.23394E-05 465 0.272E-02 0.396E-03
DAV: 21 -0.887943171386E+02 -0.33146E-04 -0.63178E-06 512 0.154E-02 0.388E-03
DAV: 22 -0.887943449251E+02 -0.27787E-04 -0.40717E-06 406 0.116E-02 0.187E-03
DAV: 23 -0.887943537883E+02 -0.88632E-05 -0.33046E-06 488 0.103E-02
1 F= -.88794354E+02 E0= -.88798453E+02 d E =0.122986E-01