./iterations/neb0_image01_iter206_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 0.365808343990E+03 0.36581E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.323346224149E+01 -0.36257E+03 -0.34957E+03 839 0.196E+02
DAV: 3 -0.954366324880E+02 -0.98670E+02 -0.98326E+02 645 0.116E+02
DAV: 4 -0.100235977155E+03 -0.47993E+01 -0.47876E+01 704 0.297E+01
DAV: 5 -0.100331770701E+03 -0.95794E-01 -0.95743E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916945672950E+02 0.86372E+01 -0.30914E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908863243146E+02 0.80824E+00 -0.18322E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905104531149E+02 0.37587E+00 -0.55341E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904282643373E+02 0.82189E-01 -0.13257E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904237774365E+02 0.44869E-02 -0.47227E-02 712 0.124E+00 0.323E-01
DAV: 11 -0.904279065547E+02 -0.41291E-02 -0.79880E-03 608 0.580E-01 0.119E-01
DAV: 12 -0.904312511680E+02 -0.33446E-02 -0.64486E-03 629 0.441E-01 0.132E-01
DAV: 13 -0.904336962953E+02 -0.24451E-02 -0.16233E-03 861 0.309E-01 0.753E-02
DAV: 14 -0.904369040737E+02 -0.32078E-02 -0.14933E-03 642 0.196E-01 0.703E-02
DAV: 15 -0.904384742453E+02 -0.15702E-02 -0.29066E-04 696 0.113E-01 0.554E-02
DAV: 16 -0.904398610444E+02 -0.13868E-02 -0.11292E-03 661 0.207E-01 0.393E-02
DAV: 17 -0.904406723247E+02 -0.81128E-03 -0.14599E-04 661 0.837E-02 0.337E-02
DAV: 18 -0.904409974139E+02 -0.32509E-03 -0.82498E-05 680 0.450E-02 0.190E-02
DAV: 19 -0.904411822172E+02 -0.18480E-03 -0.10361E-04 631 0.576E-02 0.102E-02
DAV: 20 -0.904412087690E+02 -0.26552E-04 -0.10034E-05 512 0.211E-02 0.100E-02
DAV: 21 -0.904412468604E+02 -0.38091E-04 -0.78058E-06 404 0.156E-02 0.708E-03
DAV: 22 -0.904412588552E+02 -0.11995E-04 -0.53373E-06 480 0.175E-02 0.291E-03
DAV: 23 -0.904412629737E+02 -0.41186E-05 -0.55963E-06 466 0.137E-02
1 F= -.90441263E+02 E0= -.90447081E+02 d E =0.174538E-01