./iterations/neb0_image01_iter109_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 0.366199670328E+03 0.36620E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.337017604683E+01 -0.36283E+03 -0.34951E+03 839 0.195E+02
DAV: 3 -0.956717481058E+02 -0.99042E+02 -0.98697E+02 677 0.116E+02
DAV: 4 -0.100184882590E+03 -0.45131E+01 -0.45035E+01 693 0.282E+01
DAV: 5 -0.100275300652E+03 -0.90418E-01 -0.90365E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916776292135E+02 0.85977E+01 -0.31082E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908710535831E+02 0.80658E+00 -0.18173E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904920444090E+02 0.37901E+00 -0.55802E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904080607927E+02 0.83984E-01 -0.13466E-01 704 0.163E+00 0.426E-01
DAV: 10 -0.904028464879E+02 0.52143E-02 -0.45562E-02 728 0.124E+00 0.315E-01
DAV: 11 -0.904067739262E+02 -0.39274E-02 -0.66960E-03 608 0.485E-01 0.137E-01
DAV: 12 -0.904103369216E+02 -0.35630E-02 -0.68064E-03 629 0.475E-01 0.128E-01
DAV: 13 -0.904129718760E+02 -0.26350E-02 -0.14353E-03 848 0.309E-01 0.750E-02
DAV: 14 -0.904159527190E+02 -0.29808E-02 -0.13984E-03 634 0.178E-01 0.591E-02
DAV: 15 -0.904179652587E+02 -0.20125E-02 -0.37358E-04 688 0.118E-01 0.458E-02
DAV: 16 -0.904193092985E+02 -0.13440E-02 -0.78725E-04 653 0.164E-01 0.361E-02
DAV: 17 -0.904201145838E+02 -0.80529E-03 -0.17971E-04 845 0.952E-02 0.216E-02
DAV: 18 -0.904202598599E+02 -0.14528E-03 -0.39327E-05 704 0.321E-02 0.140E-02
DAV: 19 -0.904205112486E+02 -0.25139E-03 -0.67281E-05 633 0.428E-02 0.636E-03
DAV: 20 -0.904205301655E+02 -0.18917E-04 -0.51716E-06 496 0.141E-02 0.628E-03
DAV: 21 -0.904205681769E+02 -0.38011E-04 -0.65324E-06 406 0.159E-02 0.421E-03
DAV: 22 -0.904205871645E+02 -0.18988E-04 -0.36545E-06 477 0.108E-02 0.285E-03
DAV: 23 -0.904205894630E+02 -0.22985E-05 -0.25234E-06 528 0.901E-03
1 F= -.90420589E+02 E0= -.90425710E+02 d E =0.153603E-01