iterations/neb0_image07_iter104_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 0.377640927979E+03 0.37764E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.340481781643E+01 -0.37424E+03 -0.36226E+03 877 0.196E+02
DAV: 3 -0.964069507817E+02 -0.99812E+02 -0.99476E+02 656 0.117E+02
DAV: 4 -0.101006924685E+03 -0.46000E+01 -0.45891E+01 696 0.290E+01
DAV: 5 -0.101099063797E+03 -0.92139E-01 -0.92101E-01 728 0.370E+00 0.228E+01
DAV: 6 -0.924274306146E+02 0.86716E+01 -0.30694E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.915479096579E+02 0.87952E+00 -0.16886E+00 728 0.615E+00 0.482E+00
DAV: 8 -0.911651241848E+02 0.38279E+00 -0.55878E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.910809998902E+02 0.84124E-01 -0.13237E-01 728 0.155E+00 0.427E-01
DAV: 10 -0.910717243610E+02 0.92755E-02 -0.47527E-02 741 0.112E+00 0.309E-01
DAV: 11 -0.910762110119E+02 -0.44867E-02 -0.12116E-02 608 0.579E-01 0.134E-01
DAV: 12 -0.910794951946E+02 -0.32842E-02 -0.36289E-03 621 0.278E-01 0.147E-01
DAV: 13 -0.910832755867E+02 -0.37804E-02 -0.27287E-03 728 0.325E-01 0.561E-02
DAV: 14 -0.910858314441E+02 -0.25559E-02 -0.61915E-04 653 0.116E-01 0.592E-02
DAV: 15 -0.910884069904E+02 -0.25755E-02 -0.31290E-04 645 0.895E-02 0.341E-02
DAV: 16 -0.910894538133E+02 -0.10468E-02 -0.40997E-04 680 0.101E-01 0.306E-02
DAV: 17 -0.910899391783E+02 -0.48536E-03 -0.12088E-04 648 0.714E-02 0.106E-02
DAV: 18 -0.910901074822E+02 -0.16830E-03 -0.26315E-05 584 0.267E-02 0.738E-03
DAV: 19 -0.910901818296E+02 -0.74347E-04 -0.11874E-05 432 0.207E-02 0.233E-03
DAV: 20 -0.910902284877E+02 -0.46658E-04 -0.69150E-06 434 0.120E-02 0.253E-03
DAV: 21 -0.910902385064E+02 -0.10019E-04 -0.12706E-06 512 0.550E-03 0.182E-03
DAV: 22 -0.910902450388E+02 -0.65324E-05 -0.21877E-06 392 0.975E-03
1 F= -.91090245E+02 E0= -.91095063E+02 d E =0.144544E-01