iterations/neb0_image08_iter145_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 0.375150811544E+03 0.37515E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.363283724810E+01 -0.37152E+03 -0.35923E+03 866 0.196E+02
DAV: 3 -0.967361482502E+02 -0.10037E+03 -0.10005E+03 669 0.117E+02
DAV: 4 -0.101257173475E+03 -0.45210E+01 -0.45094E+01 728 0.284E+01
DAV: 5 -0.101345875333E+03 -0.88702E-01 -0.88663E-01 712 0.360E+00 0.228E+01
DAV: 6 -0.926524977388E+02 0.86934E+01 -0.30849E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917742225830E+02 0.87828E+00 -0.17384E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913946752864E+02 0.37955E+00 -0.55697E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913143000541E+02 0.80375E-01 -0.13169E-01 704 0.156E+00 0.423E-01
DAV: 10 -0.913060351768E+02 0.82649E-02 -0.45036E-02 776 0.111E+00 0.302E-01
DAV: 11 -0.913106020862E+02 -0.45669E-02 -0.12401E-02 605 0.583E-01 0.137E-01
DAV: 12 -0.913136215662E+02 -0.30195E-02 -0.28117E-03 622 0.254E-01 0.103E-01
DAV: 13 -0.913170814667E+02 -0.34599E-02 -0.12072E-03 637 0.183E-01 0.491E-02
DAV: 14 -0.913205981911E+02 -0.35167E-02 -0.86873E-04 677 0.183E-01 0.376E-02
DAV: 15 -0.913217384657E+02 -0.11403E-02 -0.18951E-04 696 0.910E-02 0.385E-02
DAV: 16 -0.913230642937E+02 -0.13258E-02 -0.38130E-04 636 0.109E-01 0.192E-02
DAV: 17 -0.913235418277E+02 -0.47753E-03 -0.72835E-05 672 0.610E-02 0.138E-02
DAV: 18 -0.913237801977E+02 -0.23837E-03 -0.49525E-05 626 0.363E-02 0.120E-02
DAV: 19 -0.913239022872E+02 -0.12209E-03 -0.16614E-05 469 0.214E-02 0.520E-03
DAV: 20 -0.913239351333E+02 -0.32846E-04 -0.66917E-06 464 0.147E-02 0.205E-03
DAV: 21 -0.913239612015E+02 -0.26068E-04 -0.46700E-06 409 0.112E-02 0.172E-03
DAV: 22 -0.913239692669E+02 -0.80654E-05 -0.16883E-06 477 0.546E-03
1 F= -.91323969E+02 E0= -.91328837E+02 d E =0.146035E-01