iterations/neb0_image02_iter27_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 0.368000756395E+03 0.36800E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.436509137333E+01 -0.36364E+03 -0.34906E+03 839 0.195E+02
DAV: 3 -0.955400088984E+02 -0.99905E+02 -0.99567E+02 672 0.116E+02
DAV: 4 -0.100113420781E+03 -0.45734E+01 -0.45622E+01 712 0.287E+01
DAV: 5 -0.100199828857E+03 -0.86408E-01 -0.86365E-01 728 0.357E+00 0.222E+01
DAV: 6 -0.915039813847E+02 0.86958E+01 -0.31098E+01 712 0.301E+01 0.117E+01
DAV: 7 -0.906858338319E+02 0.81815E+00 -0.18556E+00 712 0.631E+00 0.482E+00
DAV: 8 -0.902981388943E+02 0.38769E+00 -0.55071E-01 696 0.426E+00 0.173E+00
DAV: 9 -0.902028212651E+02 0.95318E-01 -0.14737E-01 696 0.171E+00 0.438E-01
DAV: 10 -0.901957630550E+02 0.70582E-02 -0.43348E-02 728 0.121E+00 0.311E-01
DAV: 11 -0.901995608016E+02 -0.37977E-02 -0.67719E-03 616 0.469E-01 0.139E-01
DAV: 12 -0.902029589323E+02 -0.33981E-02 -0.64421E-03 616 0.452E-01 0.127E-01
DAV: 13 -0.902055145755E+02 -0.25556E-02 -0.13350E-03 920 0.306E-01 0.697E-02
DAV: 14 -0.902089421187E+02 -0.34275E-02 -0.13215E-03 637 0.174E-01 0.524E-02
DAV: 15 -0.902110646112E+02 -0.21225E-02 -0.26183E-04 672 0.974E-02 0.365E-02
DAV: 16 -0.902127730292E+02 -0.17084E-02 -0.69747E-04 653 0.150E-01 0.378E-02
DAV: 17 -0.902134292363E+02 -0.65621E-03 -0.15523E-04 928 0.926E-02 0.178E-02
DAV: 18 -0.902136103296E+02 -0.18109E-03 -0.39784E-05 688 0.386E-02 0.938E-03
DAV: 19 -0.902138709163E+02 -0.26059E-03 -0.45253E-05 575 0.399E-02 0.620E-03
DAV: 20 -0.902138987542E+02 -0.27838E-04 -0.81657E-06 504 0.160E-02 0.727E-03
DAV: 21 -0.902139364946E+02 -0.37740E-04 -0.50839E-06 414 0.160E-02 0.319E-03
DAV: 22 -0.902139714305E+02 -0.34936E-04 -0.14057E-05 474 0.202E-02 0.524E-03
DAV: 23 -0.902139751539E+02 -0.37234E-05 -0.17126E-06 496 0.813E-03
1 F= -.90213975E+02 E0= -.90219581E+02 d E =0.168190E-01