./iterations/neb0_image03_iter94_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 0.367046777791E+03 0.36705E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.318663122558E+01 -0.36386E+03 -0.35055E+03 845 0.195E+02
DAV: 3 -0.955755975916E+02 -0.98762E+02 -0.98443E+02 661 0.116E+02
DAV: 4 -0.100145735638E+03 -0.45701E+01 -0.45605E+01 712 0.288E+01
DAV: 5 -0.100234866516E+03 -0.89131E-01 -0.89095E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916496495335E+02 0.85852E+01 -0.30671E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.908082438613E+02 0.84141E+00 -0.18244E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.904066832262E+02 0.40156E+00 -0.56135E-01 688 0.430E+00 0.167E+00
DAV: 9 -0.903111378084E+02 0.95545E-01 -0.13573E-01 696 0.178E+00 0.449E-01
DAV: 10 -0.903028813526E+02 0.82565E-02 -0.42718E-02 728 0.111E+00 0.333E-01
DAV: 11 -0.903057974112E+02 -0.29161E-02 -0.62520E-03 672 0.552E-01 0.116E-01
DAV: 12 -0.903083979522E+02 -0.26005E-02 -0.49453E-03 623 0.309E-01 0.121E-01
DAV: 13 -0.903133540776E+02 -0.49561E-02 -0.32480E-03 840 0.439E-01 0.997E-02
DAV: 14 -0.903160127385E+02 -0.26587E-02 -0.86561E-04 664 0.172E-01 0.719E-02
DAV: 15 -0.903183836675E+02 -0.23709E-02 -0.10918E-03 653 0.198E-01 0.292E-02
DAV: 16 -0.903199921717E+02 -0.16085E-02 -0.17933E-04 680 0.736E-02 0.206E-02
DAV: 17 -0.903210596133E+02 -0.10674E-02 -0.11530E-04 605 0.406E-02 0.143E-02
DAV: 18 -0.903213799556E+02 -0.32034E-03 -0.45425E-05 608 0.377E-02 0.505E-03
DAV: 19 -0.903215132776E+02 -0.13332E-03 -0.12550E-05 464 0.187E-02 0.392E-03
DAV: 20 -0.903215704393E+02 -0.57162E-04 -0.67866E-06 456 0.137E-02 0.303E-03
DAV: 21 -0.903216030031E+02 -0.32564E-04 -0.40874E-06 434 0.958E-03 0.150E-03
DAV: 22 -0.903216103871E+02 -0.73840E-05 -0.20693E-06 504 0.866E-03
1 F= -.90321610E+02 E0= -.90329955E+02 d E =0.250334E-01