iterations/neb0_image03_iter95_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 0.366925500874E+03 0.36693E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.314169418884E+01 -0.36378E+03 -0.35046E+03 845 0.195E+02
DAV: 3 -0.955736813252E+02 -0.98715E+02 -0.98396E+02 664 0.116E+02
DAV: 4 -0.100140165939E+03 -0.45665E+01 -0.45568E+01 712 0.288E+01
DAV: 5 -0.100229324280E+03 -0.89158E-01 -0.89123E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916542595016E+02 0.85751E+01 -0.30637E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.908115570856E+02 0.84270E+00 -0.18158E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.904099226568E+02 0.40163E+00 -0.56362E-01 688 0.432E+00 0.167E+00
DAV: 9 -0.903148453941E+02 0.95077E-01 -0.13529E-01 696 0.178E+00 0.452E-01
DAV: 10 -0.903065251713E+02 0.83202E-02 -0.42253E-02 728 0.110E+00 0.334E-01
DAV: 11 -0.903092874896E+02 -0.27623E-02 -0.60086E-03 672 0.546E-01 0.118E-01
DAV: 12 -0.903119272793E+02 -0.26398E-02 -0.50952E-03 618 0.313E-01 0.122E-01
DAV: 13 -0.903168857631E+02 -0.49585E-02 -0.33322E-03 840 0.445E-01 0.101E-01
DAV: 14 -0.903195887932E+02 -0.27030E-02 -0.87865E-04 661 0.176E-01 0.726E-02
DAV: 15 -0.903219713058E+02 -0.23825E-02 -0.11379E-03 656 0.203E-01 0.301E-02
DAV: 16 -0.903235388560E+02 -0.15676E-02 -0.17514E-04 685 0.738E-02 0.210E-02
DAV: 17 -0.903246396846E+02 -0.11008E-02 -0.12572E-04 664 0.426E-02 0.133E-02
DAV: 18 -0.903249550848E+02 -0.31540E-03 -0.39762E-05 608 0.341E-02 0.535E-03
DAV: 19 -0.903250983281E+02 -0.14324E-03 -0.12787E-05 464 0.185E-02 0.361E-03
DAV: 20 -0.903251576587E+02 -0.59331E-04 -0.73683E-06 448 0.140E-02 0.291E-03
DAV: 21 -0.903251860908E+02 -0.28432E-04 -0.35100E-06 472 0.853E-03 0.175E-03
DAV: 22 -0.903251926161E+02 -0.65252E-05 -0.18378E-06 496 0.892E-03
1 F= -.90325193E+02 E0= -.90333581E+02 d E =0.251644E-01