iterations/neb0_image03_iter62_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 0.368038270702E+03 0.36804E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.393165549251E+01 -0.36411E+03 -0.35085E+03 845 0.195E+02
DAV: 3 -0.953929089375E+02 -0.99325E+02 -0.98995E+02 656 0.116E+02
DAV: 4 -0.100106396497E+03 -0.47135E+01 -0.47034E+01 712 0.294E+01
DAV: 5 -0.100198195244E+03 -0.91799E-01 -0.91760E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915816801290E+02 0.86165E+01 -0.30735E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907350550622E+02 0.84663E+00 -0.18568E+00 720 0.641E+00 0.483E+00
DAV: 8 -0.903311228282E+02 0.40393E+00 -0.56566E-01 696 0.432E+00 0.166E+00
DAV: 9 -0.902351363024E+02 0.95987E-01 -0.14226E-01 696 0.173E+00 0.440E-01
DAV: 10 -0.902269789971E+02 0.81573E-02 -0.46875E-02 720 0.120E+00 0.332E-01
DAV: 11 -0.902303079188E+02 -0.33289E-02 -0.67871E-03 613 0.521E-01 0.126E-01
DAV: 12 -0.902333774147E+02 -0.30695E-02 -0.60508E-03 623 0.366E-01 0.130E-01
DAV: 13 -0.902371175107E+02 -0.37401E-02 -0.21009E-03 840 0.393E-01 0.875E-02
DAV: 14 -0.902402035601E+02 -0.30860E-02 -0.11322E-03 642 0.158E-01 0.645E-02
DAV: 15 -0.902423993534E+02 -0.21958E-02 -0.48277E-04 672 0.130E-01 0.298E-02
DAV: 16 -0.902443987879E+02 -0.19994E-02 -0.43293E-04 669 0.119E-01 0.293E-02
DAV: 17 -0.902451147672E+02 -0.71598E-03 -0.10299E-04 688 0.587E-02 0.223E-02
DAV: 18 -0.902455049662E+02 -0.39020E-03 -0.95796E-05 648 0.567E-02 0.924E-03
DAV: 19 -0.902456480727E+02 -0.14311E-03 -0.13988E-05 480 0.261E-02 0.582E-03
DAV: 20 -0.902457428677E+02 -0.94795E-04 -0.21875E-05 506 0.264E-02 0.580E-03
DAV: 21 -0.902457947637E+02 -0.51896E-04 -0.67390E-06 448 0.153E-02 0.321E-03
DAV: 22 -0.902458084747E+02 -0.13711E-04 -0.46398E-06 480 0.120E-02 0.218E-03
DAV: 23 -0.902458139269E+02 -0.54522E-05 -0.15860E-06 429 0.664E-03
1 F= -.90245814E+02 E0= -.90254957E+02 d E =0.274298E-01