./iterations/neb0_image04_iter64_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 0.370776016282E+03 0.37078E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.441991192546E+01 -0.36636E+03 -0.35381E+03 853 0.195E+02
DAV: 3 -0.952915206199E+02 -0.99711E+02 -0.99384E+02 682 0.116E+02
DAV: 4 -0.997125977005E+02 -0.44211E+01 -0.44111E+01 712 0.278E+01
DAV: 5 -0.997982843217E+02 -0.85687E-01 -0.85646E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.913053465917E+02 0.84929E+01 -0.30020E+01 674 0.295E+01 0.116E+01
DAV: 7 -0.904603360103E+02 0.84501E+00 -0.17567E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900623798430E+02 0.39796E+00 -0.55457E-01 704 0.426E+00 0.166E+00
DAV: 9 -0.899668644619E+02 0.95515E-01 -0.13663E-01 720 0.184E+00 0.446E-01
DAV: 10 -0.899564386228E+02 0.10426E-01 -0.56444E-02 712 0.140E+00 0.349E-01
DAV: 11 -0.899602147340E+02 -0.37761E-02 -0.14763E-02 629 0.694E-01 0.149E-01
DAV: 12 -0.899615951581E+02 -0.13804E-02 -0.42661E-03 650 0.311E-01 0.133E-01
DAV: 13 -0.899655211639E+02 -0.39260E-02 -0.32416E-03 837 0.436E-01 0.773E-02
DAV: 14 -0.899689795154E+02 -0.34584E-02 -0.12701E-03 653 0.181E-01 0.657E-02
DAV: 15 -0.899708063793E+02 -0.18269E-02 -0.36621E-04 832 0.130E-01 0.301E-02
DAV: 16 -0.899727017729E+02 -0.18954E-02 -0.40939E-04 661 0.107E-01 0.263E-02
DAV: 17 -0.899737099396E+02 -0.10082E-02 -0.82919E-05 607 0.402E-02 0.239E-02
DAV: 18 -0.899741381884E+02 -0.42825E-03 -0.12143E-04 656 0.660E-02 0.902E-03
DAV: 19 -0.899742358601E+02 -0.97672E-04 -0.10912E-05 488 0.213E-02 0.652E-03
DAV: 20 -0.899743207331E+02 -0.84873E-04 -0.13902E-05 431 0.194E-02 0.351E-03
DAV: 21 -0.899743583489E+02 -0.37616E-04 -0.45061E-06 461 0.901E-03 0.315E-03
DAV: 22 -0.899743720873E+02 -0.13738E-04 -0.23552E-06 456 0.806E-03 0.124E-03
DAV: 23 -0.899743763805E+02 -0.42933E-05 -0.16132E-06 450 0.705E-03
1 F= -.89974376E+02 E0= -.89979265E+02 d E =0.146646E-01