iterations/neb0_image02_iter202_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 0.366981179406E+03 0.36698E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.213489869572E+01 -0.36485E+03 -0.35284E+03 858 0.196E+02
DAV: 3 -0.956490956967E+02 -0.97784E+02 -0.97453E+02 648 0.116E+02
DAV: 4 -0.100251309069E+03 -0.46022E+01 -0.45916E+01 712 0.291E+01
DAV: 5 -0.100341153864E+03 -0.89845E-01 -0.89807E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916824610109E+02 0.86587E+01 -0.30924E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908582906209E+02 0.82417E+00 -0.18320E+00 728 0.637E+00 0.485E+00
DAV: 8 -0.904760529583E+02 0.38224E+00 -0.55531E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903898241597E+02 0.86229E-01 -0.13703E-01 720 0.168E+00 0.430E-01
DAV: 10 -0.903845126905E+02 0.53115E-02 -0.50043E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903880234514E+02 -0.35108E-02 -0.78315E-03 616 0.578E-01 0.127E-01
DAV: 12 -0.903911721305E+02 -0.31487E-02 -0.73943E-03 648 0.448E-01 0.139E-01
DAV: 13 -0.903936293373E+02 -0.24572E-02 -0.19985E-03 864 0.350E-01 0.815E-02
DAV: 14 -0.903968571974E+02 -0.32279E-02 -0.14576E-03 629 0.183E-01 0.710E-02
DAV: 15 -0.903986951235E+02 -0.18379E-02 -0.31293E-04 688 0.103E-01 0.548E-02
DAV: 16 -0.904002333285E+02 -0.15382E-02 -0.10818E-03 672 0.195E-01 0.395E-02
DAV: 17 -0.904009184453E+02 -0.68512E-03 -0.13543E-04 680 0.814E-02 0.299E-02
DAV: 18 -0.904012789168E+02 -0.36047E-03 -0.11947E-04 658 0.533E-02 0.106E-02
DAV: 19 -0.904014314336E+02 -0.15252E-03 -0.39662E-05 664 0.317E-02 0.727E-03
DAV: 20 -0.904014693924E+02 -0.37959E-04 -0.34288E-06 488 0.130E-02 0.641E-03
DAV: 21 -0.904015153840E+02 -0.45992E-04 -0.97875E-06 412 0.168E-02 0.348E-03
DAV: 22 -0.904015203835E+02 -0.49995E-05 -0.50130E-06 496 0.130E-02
1 F= -.90401520E+02 E0= -.90407802E+02 d E =0.188453E-01