iterations/neb0_image05_iter77_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 0.373182823443E+03 0.37318E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.352578190832E+01 -0.36966E+03 -0.35763E+03 885 0.195E+02
DAV: 3 -0.940711844365E+02 -0.97597E+02 -0.97248E+02 645 0.116E+02
DAV: 4 -0.986035757969E+02 -0.45324E+01 -0.45208E+01 704 0.292E+01
DAV: 5 -0.987015625276E+02 -0.97987E-01 -0.97944E-01 728 0.381E+00 0.218E+01
DAV: 6 -0.904472598560E+02 0.82543E+01 -0.28748E+01 701 0.288E+01 0.112E+01
DAV: 7 -0.896041773083E+02 0.84308E+00 -0.17984E+00 712 0.667E+00 0.467E+00
DAV: 8 -0.892225934163E+02 0.38158E+00 -0.60192E-01 704 0.438E+00 0.155E+00
DAV: 9 -0.891395428671E+02 0.83051E-01 -0.12400E-01 728 0.161E+00 0.434E-01
DAV: 10 -0.891286601843E+02 0.10883E-01 -0.48379E-02 712 0.117E+00 0.333E-01
DAV: 11 -0.891307452195E+02 -0.20850E-02 -0.99137E-03 629 0.572E-01 0.116E-01
DAV: 12 -0.891329761853E+02 -0.22310E-02 -0.32978E-03 666 0.296E-01 0.117E-01
DAV: 13 -0.891382831270E+02 -0.53069E-02 -0.17240E-03 807 0.290E-01 0.661E-02
DAV: 14 -0.891407490807E+02 -0.24660E-02 -0.73574E-04 666 0.126E-01 0.446E-02
DAV: 15 -0.891438608890E+02 -0.31118E-02 -0.75841E-04 727 0.159E-01 0.333E-02
DAV: 16 -0.891447254068E+02 -0.86452E-03 -0.93663E-05 768 0.610E-02 0.219E-02
DAV: 17 -0.891457326155E+02 -0.10072E-02 -0.18130E-04 644 0.708E-02 0.104E-02
DAV: 18 -0.891461331683E+02 -0.40055E-03 -0.37088E-05 621 0.373E-02 0.640E-03
DAV: 19 -0.891462793350E+02 -0.14617E-03 -0.16748E-05 480 0.205E-02 0.436E-03
DAV: 20 -0.891463562915E+02 -0.76957E-04 -0.11284E-05 441 0.191E-02 0.286E-03
DAV: 21 -0.891463798645E+02 -0.23573E-04 -0.37221E-06 472 0.890E-03 0.272E-03
DAV: 22 -0.891463866499E+02 -0.67854E-05 -0.23070E-06 456 0.107E-02
1 F= -.89146387E+02 E0= -.89150379E+02 d E =0.119779E-01