./iterations/neb0_image01_iter130_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 0.366222274144E+03 0.36622E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.332836105124E+01 -0.36289E+03 -0.34973E+03 839 0.195E+02
DAV: 3 -0.957058911550E+02 -0.99034E+02 -0.98691E+02 674 0.116E+02
DAV: 4 -0.100218162209E+03 -0.45123E+01 -0.45022E+01 704 0.282E+01
DAV: 5 -0.100308095367E+03 -0.89933E-01 -0.89886E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916833440530E+02 0.86248E+01 -0.31113E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908764391631E+02 0.80690E+00 -0.18271E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904980788240E+02 0.37836E+00 -0.55706E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904148256915E+02 0.83253E-01 -0.13556E-01 712 0.164E+00 0.425E-01
DAV: 10 -0.904098333608E+02 0.49923E-02 -0.45308E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904137660868E+02 -0.39327E-02 -0.65742E-03 608 0.489E-01 0.136E-01
DAV: 12 -0.904173855552E+02 -0.36195E-02 -0.69913E-03 626 0.487E-01 0.130E-01
DAV: 13 -0.904199631508E+02 -0.25776E-02 -0.15547E-03 848 0.315E-01 0.738E-02
DAV: 14 -0.904229245049E+02 -0.29614E-02 -0.13397E-03 642 0.173E-01 0.589E-02
DAV: 15 -0.904249003161E+02 -0.19758E-02 -0.37034E-04 664 0.114E-01 0.469E-02
DAV: 16 -0.904262825127E+02 -0.13822E-02 -0.80986E-04 661 0.169E-01 0.353E-02
DAV: 17 -0.904270390968E+02 -0.75658E-03 -0.14303E-04 733 0.862E-02 0.243E-02
DAV: 18 -0.904272674868E+02 -0.22839E-03 -0.72629E-05 672 0.419E-02 0.112E-02
DAV: 19 -0.904274519372E+02 -0.18445E-03 -0.48853E-05 636 0.346E-02 0.702E-03
DAV: 20 -0.904274714170E+02 -0.19480E-04 -0.35068E-06 520 0.136E-02 0.680E-03
DAV: 21 -0.904275128205E+02 -0.41404E-04 -0.72317E-06 401 0.150E-02 0.462E-03
DAV: 22 -0.904275232191E+02 -0.10399E-04 -0.44832E-06 477 0.143E-02 0.222E-03
DAV: 23 -0.904275247569E+02 -0.15378E-05 -0.19897E-06 536 0.840E-03
1 F= -.90427525E+02 E0= -.90432928E+02 d E =0.162089E-01