iterations/neb0_image01_iter211_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 0.365634033711E+03 0.36563E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322023128506E+01 -0.36241E+03 -0.34937E+03 839 0.196E+02
DAV: 3 -0.954336340736E+02 -0.98654E+02 -0.98309E+02 645 0.116E+02
DAV: 4 -0.100227184218E+03 -0.47936E+01 -0.47818E+01 704 0.297E+01
DAV: 5 -0.100322850579E+03 -0.95666E-01 -0.95617E-01 720 0.376E+00 0.222E+01
DAV: 6 -0.916935092233E+02 0.86293E+01 -0.30883E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908848541313E+02 0.80866E+00 -0.18274E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905087393144E+02 0.37611E+00 -0.55440E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904267405494E+02 0.81999E-01 -0.13061E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904222560088E+02 0.44845E-02 -0.47726E-02 712 0.124E+00 0.326E-01
DAV: 11 -0.904264779407E+02 -0.42219E-02 -0.83344E-03 608 0.611E-01 0.116E-01
DAV: 12 -0.904297464523E+02 -0.32685E-02 -0.64258E-03 629 0.430E-01 0.134E-01
DAV: 13 -0.904322342069E+02 -0.24878E-02 -0.16799E-03 853 0.309E-01 0.773E-02
DAV: 14 -0.904354660816E+02 -0.32319E-02 -0.15494E-03 634 0.200E-01 0.745E-02
DAV: 15 -0.904370048125E+02 -0.15387E-02 -0.27784E-04 736 0.114E-01 0.573E-02
DAV: 16 -0.904384183209E+02 -0.14135E-02 -0.12004E-03 661 0.213E-01 0.408E-02
DAV: 17 -0.904391839686E+02 -0.76565E-03 -0.15717E-04 728 0.877E-02 0.321E-02
DAV: 18 -0.904394700689E+02 -0.28610E-03 -0.60413E-05 688 0.382E-02 0.204E-02
DAV: 19 -0.904396938457E+02 -0.22378E-03 -0.92761E-05 642 0.549E-02 0.725E-03
DAV: 20 -0.904397243011E+02 -0.30455E-04 -0.10724E-05 528 0.214E-02 0.695E-03
DAV: 21 -0.904397725241E+02 -0.48223E-04 -0.86296E-06 404 0.159E-02 0.655E-03
DAV: 22 -0.904397869325E+02 -0.14408E-04 -0.29608E-06 480 0.131E-02 0.428E-03
DAV: 23 -0.904397914151E+02 -0.44826E-05 -0.73191E-06 490 0.158E-02
1 F= -.90439791E+02 E0= -.90446143E+02 d E =0.190556E-01