iterations/neb0_image03_iter231_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 0.362454315410E+03 0.36245E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.122072326174E+01 -0.36123E+03 -0.34998E+03 842 0.195E+02
DAV: 3 -0.958982227074E+02 -0.97119E+02 -0.96782E+02 680 0.115E+02
DAV: 4 -0.100213001929E+03 -0.43148E+01 -0.43030E+01 704 0.274E+01
DAV: 5 -0.100299126257E+03 -0.86124E-01 -0.86089E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917042119779E+02 0.85949E+01 -0.31004E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908587676591E+02 0.84544E+00 -0.17768E+00 720 0.639E+00 0.485E+00
DAV: 8 -0.904627510055E+02 0.39602E+00 -0.58236E-01 688 0.439E+00 0.168E+00
DAV: 9 -0.903718875755E+02 0.90863E-01 -0.13185E-01 728 0.166E+00 0.440E-01
DAV: 10 -0.903648247264E+02 0.70628E-02 -0.49348E-02 712 0.125E+00 0.339E-01
DAV: 11 -0.903688892893E+02 -0.40646E-02 -0.75601E-03 632 0.584E-01 0.126E-01
DAV: 12 -0.903725606233E+02 -0.36713E-02 -0.65294E-03 618 0.379E-01 0.132E-01
DAV: 13 -0.903762706892E+02 -0.37101E-02 -0.19526E-03 928 0.358E-01 0.910E-02
DAV: 14 -0.903792404867E+02 -0.29698E-02 -0.12386E-03 648 0.168E-01 0.655E-02
DAV: 15 -0.903813962830E+02 -0.21558E-02 -0.37235E-04 672 0.102E-01 0.378E-02
DAV: 16 -0.903830339846E+02 -0.16377E-02 -0.57739E-04 661 0.131E-01 0.317E-02
DAV: 17 -0.903836562077E+02 -0.62222E-03 -0.10250E-04 784 0.698E-02 0.166E-02
DAV: 18 -0.903842108561E+02 -0.55465E-03 -0.14567E-04 653 0.613E-02 0.110E-02
DAV: 19 -0.903842673710E+02 -0.56515E-04 -0.71467E-06 512 0.184E-02 0.846E-03
DAV: 20 -0.903843264144E+02 -0.59043E-04 -0.18350E-05 485 0.271E-02 0.389E-03
DAV: 21 -0.903843662692E+02 -0.39855E-04 -0.44190E-06 477 0.131E-02 0.269E-03
DAV: 22 -0.903843902553E+02 -0.23986E-04 -0.56741E-06 421 0.116E-02 0.239E-03
DAV: 23 -0.903843929183E+02 -0.26630E-05 -0.92708E-07 544 0.618E-03
1 F= -.90384393E+02 E0= -.90391409E+02 d E =0.210487E-01