./iterations/neb0_image01_iter121_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 0.366507427974E+03 0.36651E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.337197112289E+01 -0.36314E+03 -0.34988E+03 839 0.195E+02
DAV: 3 -0.956638452842E+02 -0.99036E+02 -0.98691E+02 669 0.116E+02
DAV: 4 -0.100218852324E+03 -0.45550E+01 -0.45453E+01 693 0.286E+01
DAV: 5 -0.100309529258E+03 -0.90677E-01 -0.90625E-01 744 0.361E+00 0.222E+01
DAV: 6 -0.916849328322E+02 0.86246E+01 -0.31096E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908737620142E+02 0.81117E+00 -0.18232E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904945930894E+02 0.37917E+00 -0.55705E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904108926746E+02 0.83700E-01 -0.13550E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904058039401E+02 0.50887E-02 -0.45638E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904097057051E+02 -0.39018E-02 -0.67032E-03 608 0.489E-01 0.138E-01
DAV: 12 -0.904132909722E+02 -0.35853E-02 -0.70107E-03 626 0.484E-01 0.130E-01
DAV: 13 -0.904159077647E+02 -0.26168E-02 -0.15364E-03 848 0.316E-01 0.747E-02
DAV: 14 -0.904188788538E+02 -0.29711E-02 -0.13673E-03 642 0.175E-01 0.592E-02
DAV: 15 -0.904208650931E+02 -0.19862E-02 -0.36828E-04 680 0.116E-01 0.462E-02
DAV: 16 -0.904222593506E+02 -0.13943E-02 -0.83690E-04 653 0.171E-01 0.373E-02
DAV: 17 -0.904230286063E+02 -0.76926E-03 -0.16213E-04 797 0.923E-02 0.234E-02
DAV: 18 -0.904232127134E+02 -0.18411E-03 -0.56349E-05 680 0.370E-02 0.128E-02
DAV: 19 -0.904234337183E+02 -0.22100E-03 -0.57818E-05 633 0.385E-02 0.630E-03
DAV: 20 -0.904234551211E+02 -0.21403E-04 -0.48539E-06 488 0.148E-02 0.667E-03
DAV: 21 -0.904234912004E+02 -0.36079E-04 -0.67922E-06 409 0.158E-02 0.529E-03
DAV: 22 -0.904235091102E+02 -0.17910E-04 -0.38789E-06 469 0.138E-02 0.291E-03
DAV: 23 -0.904235112064E+02 -0.20962E-05 -0.45810E-06 528 0.120E-02
1 F= -.90423511E+02 E0= -.90428773E+02 d E =0.157865E-01