./iterations/neb0_image02_iter28_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423214477596E+04 0.42321E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430533447871E+03 -0.46627E+04 -0.45621E+04 3366 0.329E+02
DAV: 3 -0.943270700107E+03 -0.51274E+03 -0.51055E+03 3120 0.117E+02
DAV: 4 -0.955477679853E+03 -0.12207E+02 -0.12162E+02 3183 0.195E+01
DAV: 5 -0.955879870473E+03 -0.40219E+00 -0.40166E+00 3210 0.320E+00 0.812E+01
DAV: 6 -0.847755968870E+03 0.10812E+03 -0.47106E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847285660393E+03 0.47031E+00 -0.14437E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.846954542990E+03 0.33112E+00 -0.96523E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846911574137E+03 0.42969E-01 -0.40974E-01 3183 0.151E+00 0.857E-01
DAV: 10 -0.846918832782E+03 -0.72586E-02 -0.71317E-02 3111 0.599E-01 0.594E-01
DAV: 11 -0.846919082235E+03 -0.24945E-03 -0.65802E-03 3120 0.209E-01 0.336E-01
DAV: 12 -0.846920801615E+03 -0.17194E-02 -0.67869E-03 3066 0.239E-01 0.117E-01
DAV: 13 -0.846924290762E+03 -0.34891E-02 -0.41939E-03 3210 0.206E-01 0.132E-01
DAV: 14 -0.846928329535E+03 -0.40388E-02 -0.28037E-03 3102 0.139E-01 0.923E-02
DAV: 15 -0.846933015623E+03 -0.46861E-02 -0.11320E-03 3102 0.854E-02 0.343E-02
DAV: 16 -0.846935301340E+03 -0.22857E-02 -0.41994E-04 3102 0.484E-02 0.360E-02
DAV: 17 -0.846936367907E+03 -0.10666E-02 -0.19537E-04 3093 0.348E-02 0.241E-02
DAV: 18 -0.846937053894E+03 -0.68599E-03 -0.28437E-05 2364 0.189E-02 0.130E-02
DAV: 19 -0.846937584488E+03 -0.53059E-03 -0.37356E-05 2661 0.208E-02 0.669E-03
DAV: 20 -0.846937683883E+03 -0.99394E-04 -0.28718E-05 2562 0.139E-02 0.625E-03
DAV: 21 -0.846937721831E+03 -0.37948E-04 -0.35066E-06 1986 0.462E-03 0.563E-03
DAV: 22 -0.846937741387E+03 -0.19556E-04 -0.20644E-06 1995 0.353E-03 0.266E-03
DAV: 23 -0.846937748930E+03 -0.75430E-05 -0.17122E-06 1986 0.317E-03
1 F= -.84693775E+03 E0= -.84694161E+03 d E =0.115958E-01