iterations/neb0_image02_iter23_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 0.366859436339E+03 0.36686E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.416926643460E+01 -0.36269E+03 -0.34825E+03 839 0.195E+02
DAV: 3 -0.954573454538E+02 -0.99627E+02 -0.99282E+02 680 0.116E+02
DAV: 4 -0.100015603988E+03 -0.45583E+01 -0.45477E+01 704 0.285E+01
DAV: 5 -0.100103988230E+03 -0.88384E-01 -0.88338E-01 728 0.357E+00 0.222E+01
DAV: 6 -0.914860001899E+02 0.86180E+01 -0.30851E+01 704 0.299E+01 0.116E+01
DAV: 7 -0.906713062349E+02 0.81469E+00 -0.18255E+00 712 0.633E+00 0.482E+00
DAV: 8 -0.902860615547E+02 0.38524E+00 -0.56347E-01 696 0.434E+00 0.170E+00
DAV: 9 -0.901953693939E+02 0.90692E-01 -0.14400E-01 704 0.169E+00 0.440E-01
DAV: 10 -0.901883694942E+02 0.69999E-02 -0.40653E-02 712 0.121E+00 0.307E-01
DAV: 11 -0.901919727863E+02 -0.36033E-02 -0.64391E-03 608 0.445E-01 0.156E-01
DAV: 12 -0.901951401395E+02 -0.31674E-02 -0.59208E-03 624 0.460E-01 0.117E-01
DAV: 13 -0.901981009246E+02 -0.29608E-02 -0.89474E-04 712 0.266E-01 0.749E-02
DAV: 14 -0.902013796359E+02 -0.32787E-02 -0.18191E-03 640 0.207E-01 0.592E-02
DAV: 15 -0.902036661351E+02 -0.22865E-02 -0.55402E-04 821 0.178E-01 0.305E-02
DAV: 16 -0.902047883267E+02 -0.11222E-02 -0.29470E-04 696 0.899E-02 0.299E-02
DAV: 17 -0.902057773555E+02 -0.98903E-03 -0.12650E-04 650 0.530E-02 0.240E-02
DAV: 18 -0.902060057332E+02 -0.22838E-03 -0.91726E-05 688 0.616E-02 0.757E-03
DAV: 19 -0.902062518321E+02 -0.24610E-03 -0.34644E-05 575 0.275E-02 0.807E-03
DAV: 20 -0.902062930826E+02 -0.41250E-04 -0.51155E-06 512 0.122E-02 0.806E-03
DAV: 21 -0.902063369556E+02 -0.43873E-04 -0.59529E-06 417 0.147E-02 0.499E-03
DAV: 22 -0.902063481540E+02 -0.11198E-04 -0.50147E-06 480 0.121E-02 0.225E-03
DAV: 23 -0.902063528846E+02 -0.47306E-05 -0.12212E-06 434 0.666E-03
1 F= -.90206353E+02 E0= -.90213313E+02 d E =0.208805E-01