iterations/neb0_image04_iter237_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 0.368018104622E+03 0.36802E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.151503376483E+01 -0.36650E+03 -0.35513E+03 869 0.195E+02
DAV: 3 -0.960402413777E+02 -0.97555E+02 -0.97269E+02 661 0.116E+02
DAV: 4 -0.100314789739E+03 -0.42745E+01 -0.42653E+01 704 0.279E+01
DAV: 5 -0.100398217561E+03 -0.83428E-01 -0.83393E-01 728 0.349E+00 0.224E+01
DAV: 6 -0.916831668553E+02 0.87151E+01 -0.31215E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908211426102E+02 0.86202E+00 -0.17972E+00 712 0.653E+00 0.485E+00
DAV: 8 -0.904111095540E+02 0.41003E+00 -0.54542E-01 696 0.453E+00 0.178E+00
DAV: 9 -0.903209829950E+02 0.90127E-01 -0.14867E-01 728 0.216E+00 0.595E-01
DAV: 10 -0.903045619809E+02 0.16421E-01 -0.38655E-02 704 0.103E+00 0.357E-01
DAV: 11 -0.903064056270E+02 -0.18436E-02 -0.15170E-02 720 0.642E-01 0.270E-01
DAV: 12 -0.903088749765E+02 -0.24693E-02 -0.35662E-03 685 0.550E-01 0.155E-01
DAV: 13 -0.903120701100E+02 -0.31951E-02 -0.31292E-03 609 0.383E-01 0.109E-01
DAV: 14 -0.903160268655E+02 -0.39568E-02 -0.22860E-03 631 0.278E-01 0.522E-02
DAV: 15 -0.903182490625E+02 -0.22222E-02 -0.57100E-04 664 0.112E-01 0.535E-02
DAV: 16 -0.903206269287E+02 -0.23779E-02 -0.71966E-04 786 0.204E-01 0.389E-02
DAV: 17 -0.903216802055E+02 -0.10533E-02 -0.22661E-04 680 0.756E-02 0.378E-02
DAV: 18 -0.903222448474E+02 -0.56464E-03 -0.12981E-04 716 0.746E-02 0.231E-02
DAV: 19 -0.903225289471E+02 -0.28410E-03 -0.85625E-05 736 0.574E-02 0.110E-02
DAV: 20 -0.903227014150E+02 -0.17247E-03 -0.17835E-05 449 0.221E-02 0.854E-03
DAV: 21 -0.903227974114E+02 -0.95996E-04 -0.14655E-05 493 0.179E-02 0.468E-03
DAV: 22 -0.903228447830E+02 -0.47372E-04 -0.91020E-06 434 0.153E-02 0.218E-03
DAV: 23 -0.903228513631E+02 -0.65801E-05 -0.19637E-06 512 0.649E-03
1 F= -.90322851E+02 E0= -.90330997E+02 d E =0.244372E-01