./iterations/neb0_image02_iter27_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 0.423205262969E+04 0.42321E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.429473394970E+03 -0.46615E+04 -0.45603E+04 3357 0.329E+02
DAV: 3 -0.943177570501E+03 -0.51370E+03 -0.51150E+03 3120 0.118E+02
DAV: 4 -0.955452985042E+03 -0.12275E+02 -0.12230E+02 3183 0.196E+01
DAV: 5 -0.955857128981E+03 -0.40414E+00 -0.40359E+00 3192 0.321E+00 0.812E+01
DAV: 6 -0.847735741555E+03 0.10812E+03 -0.47105E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847267270944E+03 0.46847E+00 -0.14428E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.846935954835E+03 0.33132E+00 -0.96326E-01 3183 0.237E+00 0.594E+00
DAV: 9 -0.846892779824E+03 0.43175E-01 -0.41044E-01 3183 0.151E+00 0.857E-01
DAV: 10 -0.846899947591E+03 -0.71678E-02 -0.71520E-02 3111 0.601E-01 0.594E-01
DAV: 11 -0.846900130472E+03 -0.18288E-03 -0.65695E-03 3111 0.209E-01 0.337E-01
DAV: 12 -0.846901773410E+03 -0.16429E-02 -0.68397E-03 3048 0.240E-01 0.117E-01
DAV: 13 -0.846905235364E+03 -0.34620E-02 -0.42287E-03 3210 0.207E-01 0.133E-01
DAV: 14 -0.846909269753E+03 -0.40344E-02 -0.28273E-03 3093 0.140E-01 0.927E-02
DAV: 15 -0.846913946070E+03 -0.46763E-02 -0.11307E-03 3102 0.856E-02 0.343E-02
DAV: 16 -0.846916274733E+03 -0.23287E-02 -0.42757E-04 3111 0.485E-02 0.361E-02
DAV: 17 -0.846917344647E+03 -0.10699E-02 -0.19525E-04 3093 0.348E-02 0.241E-02
DAV: 18 -0.846918026503E+03 -0.68186E-03 -0.28411E-05 2391 0.186E-02 0.131E-02
DAV: 19 -0.846918565532E+03 -0.53903E-03 -0.37317E-05 2652 0.208E-02 0.684E-03
DAV: 20 -0.846918665938E+03 -0.10041E-03 -0.29843E-05 2634 0.141E-02 0.635E-03
DAV: 21 -0.846918704139E+03 -0.38201E-04 -0.33928E-06 1995 0.455E-03 0.568E-03
DAV: 22 -0.846918723833E+03 -0.19694E-04 -0.20037E-06 1995 0.348E-03 0.272E-03
DAV: 23 -0.846918731686E+03 -0.78528E-05 -0.17093E-06 1986 0.318E-03
1 F= -.84691873E+03 E0= -.84692260E+03 d E =0.115958E-01