./iterations/neb0_image02_iter33_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 0.423245723308E+04 0.42325E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.432277730408E+03 -0.46647E+04 -0.45641E+04 3375 0.329E+02
DAV: 3 -0.943388233443E+03 -0.51111E+03 -0.50893E+03 3120 0.117E+02
DAV: 4 -0.955514539500E+03 -0.12126E+02 -0.12081E+02 3183 0.195E+01
DAV: 5 -0.955912397787E+03 -0.39786E+00 -0.39733E+00 3201 0.319E+00 0.813E+01
DAV: 6 -0.847835789350E+03 0.10808E+03 -0.47095E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847371057028E+03 0.46473E+00 -0.14389E+01 3534 0.607E+00 0.146E+01
DAV: 8 -0.847037811675E+03 0.33325E+00 -0.95887E-01 3165 0.237E+00 0.593E+00
DAV: 9 -0.846993585158E+03 0.44227E-01 -0.40973E-01 3192 0.152E+00 0.857E-01
DAV: 10 -0.847000853225E+03 -0.72681E-02 -0.72664E-02 3111 0.605E-01 0.596E-01
DAV: 11 -0.847001038865E+03 -0.18564E-03 -0.65861E-03 3120 0.207E-01 0.340E-01
DAV: 12 -0.847002676841E+03 -0.16380E-02 -0.69700E-03 3048 0.243E-01 0.118E-01
DAV: 13 -0.847006167317E+03 -0.34905E-02 -0.44121E-03 3228 0.212E-01 0.134E-01
DAV: 14 -0.847010195483E+03 -0.40282E-02 -0.28764E-03 3093 0.141E-01 0.945E-02
DAV: 15 -0.847014877501E+03 -0.46820E-02 -0.11582E-03 3102 0.835E-02 0.350E-02
DAV: 16 -0.847017242582E+03 -0.23651E-02 -0.42145E-04 3102 0.487E-02 0.377E-02
DAV: 17 -0.847018293384E+03 -0.10508E-02 -0.22656E-04 3102 0.366E-02 0.259E-02
DAV: 18 -0.847018964818E+03 -0.67143E-03 -0.30660E-05 2418 0.195E-02 0.138E-02
DAV: 19 -0.847019545723E+03 -0.58091E-03 -0.41637E-05 2706 0.217E-02 0.713E-03
DAV: 20 -0.847019646296E+03 -0.10057E-03 -0.30070E-05 2616 0.139E-02 0.638E-03
DAV: 21 -0.847019685918E+03 -0.39621E-04 -0.32805E-06 1986 0.440E-03 0.559E-03
DAV: 22 -0.847019707398E+03 -0.21480E-04 -0.20609E-06 1995 0.341E-03 0.262E-03
DAV: 23 -0.847019716454E+03 -0.90563E-05 -0.16430E-06 1986 0.317E-03
1 F= -.84701972E+03 E0= -.84702358E+03 d E =0.115958E-01