iterations/neb0_image02_iter199_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 0.363947342628E+03 0.36395E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.141704899702E+01 -0.36253E+03 -0.35079E+03 858 0.195E+02
DAV: 3 -0.955955365755E+02 -0.97013E+02 -0.96683E+02 640 0.115E+02
DAV: 4 -0.100258966752E+03 -0.46634E+01 -0.46526E+01 712 0.294E+01
DAV: 5 -0.100350899729E+03 -0.91933E-01 -0.91894E-01 744 0.370E+00 0.223E+01
DAV: 6 -0.916778598474E+02 0.86730E+01 -0.30937E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908555614381E+02 0.82230E+00 -0.18430E+00 728 0.636E+00 0.484E+00
DAV: 8 -0.904740410559E+02 0.38152E+00 -0.55115E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903872229745E+02 0.86818E-01 -0.13810E-01 712 0.168E+00 0.429E-01
DAV: 10 -0.903819358495E+02 0.52871E-02 -0.50088E-02 712 0.129E+00 0.330E-01
DAV: 11 -0.903855324297E+02 -0.35966E-02 -0.80895E-03 616 0.580E-01 0.125E-01
DAV: 12 -0.903886690692E+02 -0.31366E-02 -0.72530E-03 648 0.443E-01 0.139E-01
DAV: 13 -0.903910527926E+02 -0.23837E-02 -0.19682E-03 872 0.346E-01 0.809E-02
DAV: 14 -0.903943279017E+02 -0.32751E-02 -0.14893E-03 621 0.186E-01 0.714E-02
DAV: 15 -0.903961086917E+02 -0.17808E-02 -0.30419E-04 688 0.103E-01 0.564E-02
DAV: 16 -0.903976353343E+02 -0.15266E-02 -0.11401E-03 672 0.202E-01 0.402E-02
DAV: 17 -0.903983438183E+02 -0.70848E-03 -0.14245E-04 680 0.819E-02 0.317E-02
DAV: 18 -0.903986795826E+02 -0.33576E-03 -0.10453E-04 664 0.495E-02 0.133E-02
DAV: 19 -0.903988536127E+02 -0.17403E-03 -0.56881E-05 645 0.393E-02 0.760E-03
DAV: 20 -0.903988861253E+02 -0.32513E-04 -0.48763E-06 504 0.158E-02 0.733E-03
DAV: 21 -0.903989284553E+02 -0.42330E-04 -0.86545E-06 409 0.156E-02 0.480E-03
DAV: 22 -0.903989373103E+02 -0.88549E-05 -0.56471E-06 480 0.156E-02
1 F= -.90398937E+02 E0= -.90405011E+02 d E =0.182200E-01