iterations/neb0_image02_iter158_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 0.364008781061E+03 0.36401E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.187798295546E+01 -0.36213E+03 -0.34996E+03 853 0.195E+02
DAV: 3 -0.956098602099E+02 -0.97488E+02 -0.97151E+02 648 0.115E+02
DAV: 4 -0.100217817424E+03 -0.46080E+01 -0.45974E+01 720 0.291E+01
DAV: 5 -0.100309193190E+03 -0.91376E-01 -0.91345E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916799473761E+02 0.86292E+01 -0.30859E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908592578714E+02 0.82069E+00 -0.18410E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904784100783E+02 0.38085E+00 -0.56073E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903922792662E+02 0.86131E-01 -0.13712E-01 712 0.166E+00 0.432E-01
DAV: 10 -0.903866872812E+02 0.55920E-02 -0.48816E-02 704 0.129E+00 0.329E-01
DAV: 11 -0.903899003075E+02 -0.32130E-02 -0.67864E-03 616 0.529E-01 0.144E-01
DAV: 12 -0.903931965272E+02 -0.32962E-02 -0.79539E-03 632 0.476E-01 0.137E-01
DAV: 13 -0.903959633873E+02 -0.27669E-02 -0.20641E-03 888 0.364E-01 0.831E-02
DAV: 14 -0.903989213976E+02 -0.29580E-02 -0.12823E-03 642 0.164E-01 0.656E-02
DAV: 15 -0.904010655910E+02 -0.21442E-02 -0.41266E-04 661 0.112E-01 0.473E-02
DAV: 16 -0.904025262943E+02 -0.14607E-02 -0.78951E-04 672 0.159E-01 0.351E-02
DAV: 17 -0.904033231776E+02 -0.79688E-03 -0.14798E-04 744 0.810E-02 0.212E-02
DAV: 18 -0.904035734478E+02 -0.25027E-03 -0.80163E-05 688 0.433E-02 0.759E-03
DAV: 19 -0.904037156841E+02 -0.14224E-03 -0.21633E-05 501 0.236E-02 0.489E-03
DAV: 20 -0.904037466848E+02 -0.31001E-04 -0.30437E-06 488 0.106E-02 0.374E-03
DAV: 21 -0.904037916805E+02 -0.44996E-04 -0.81291E-06 420 0.142E-02 0.331E-03
DAV: 22 -0.904037985580E+02 -0.68775E-05 -0.17911E-06 496 0.942E-03
1 F= -.90403799E+02 E0= -.90410684E+02 d E =0.206550E-01