iterations/neb0_image02_iter206_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 0.366951780295E+03 0.36695E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.212260294251E+01 -0.36483E+03 -0.35283E+03 858 0.196E+02
DAV: 3 -0.956503665266E+02 -0.97773E+02 -0.97442E+02 648 0.116E+02
DAV: 4 -0.100252049081E+03 -0.46017E+01 -0.45911E+01 712 0.291E+01
DAV: 5 -0.100341887962E+03 -0.89839E-01 -0.89801E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916794555688E+02 0.86624E+01 -0.30947E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908574955052E+02 0.82196E+00 -0.18330E+00 728 0.637E+00 0.484E+00
DAV: 8 -0.904761774096E+02 0.38132E+00 -0.55241E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903901629811E+02 0.86014E-01 -0.13711E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903849924346E+02 0.51705E-02 -0.49581E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903885478086E+02 -0.35554E-02 -0.77854E-03 616 0.593E-01 0.123E-01
DAV: 12 -0.903915889564E+02 -0.30411E-02 -0.69414E-03 648 0.423E-01 0.135E-01
DAV: 13 -0.903942148622E+02 -0.26259E-02 -0.19067E-03 856 0.341E-01 0.823E-02
DAV: 14 -0.903973942686E+02 -0.31794E-02 -0.13690E-03 629 0.172E-01 0.698E-02
DAV: 15 -0.903992676593E+02 -0.18734E-02 -0.32722E-04 688 0.106E-01 0.515E-02
DAV: 16 -0.904007578226E+02 -0.14902E-02 -0.99808E-04 680 0.184E-01 0.394E-02
DAV: 17 -0.904014360613E+02 -0.67824E-03 -0.15042E-04 760 0.850E-02 0.250E-02
DAV: 18 -0.904017419477E+02 -0.30589E-03 -0.82332E-05 672 0.438E-02 0.845E-03
DAV: 19 -0.904019149773E+02 -0.17303E-03 -0.34407E-05 591 0.291E-02 0.652E-03
DAV: 20 -0.904019465208E+02 -0.31543E-04 -0.32393E-06 504 0.129E-02 0.514E-03
DAV: 21 -0.904020043735E+02 -0.57853E-04 -0.13341E-05 420 0.191E-02 0.314E-03
DAV: 22 -0.904020084512E+02 -0.40777E-05 -0.31639E-06 496 0.105E-02
1 F= -.90402008E+02 E0= -.90408862E+02 d E =0.205606E-01