./iterations/neb0_image03_iter16_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 0.422955794886E+04 0.42296E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.428810981978E+03 -0.46584E+04 -0.45613E+04 3357 0.329E+02
DAV: 3 -0.942611094447E+03 -0.51380E+03 -0.51156E+03 3120 0.117E+02
DAV: 4 -0.954918439714E+03 -0.12307E+02 -0.12260E+02 3192 0.196E+01
DAV: 5 -0.955323791127E+03 -0.40535E+00 -0.40480E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.847018713551E+03 0.10831E+03 -0.47201E+02 3057 0.348E+01 0.376E+01
DAV: 7 -0.846561801999E+03 0.45691E+00 -0.14514E+01 3534 0.612E+00 0.146E+01
DAV: 8 -0.846237508581E+03 0.32429E+00 -0.95976E-01 3165 0.234E+00 0.598E+00
DAV: 9 -0.846199433599E+03 0.38075E-01 -0.41990E-01 3183 0.153E+00 0.863E-01
DAV: 10 -0.846205978215E+03 -0.65446E-02 -0.69800E-02 3129 0.589E-01 0.596E-01
DAV: 11 -0.846205715141E+03 0.26307E-03 -0.73534E-03 3129 0.212E-01 0.336E-01
DAV: 12 -0.846206515934E+03 -0.80079E-03 -0.58056E-03 3039 0.227E-01 0.115E-01
DAV: 13 -0.846209319294E+03 -0.28034E-02 -0.42266E-03 3147 0.211E-01 0.128E-01
DAV: 14 -0.846213058657E+03 -0.37394E-02 -0.26984E-03 3075 0.137E-01 0.869E-02
DAV: 15 -0.846217206724E+03 -0.41481E-02 -0.10806E-03 3138 0.878E-02 0.378E-02
DAV: 16 -0.846219370822E+03 -0.21641E-02 -0.37905E-04 3093 0.509E-02 0.360E-02
DAV: 17 -0.846220382161E+03 -0.10113E-02 -0.25953E-04 3120 0.374E-02 0.259E-02
DAV: 18 -0.846221046120E+03 -0.66396E-03 -0.31758E-05 2499 0.213E-02 0.123E-02
DAV: 19 -0.846221597289E+03 -0.55117E-03 -0.43818E-05 2742 0.221E-02 0.650E-03
DAV: 20 -0.846221689572E+03 -0.92283E-04 -0.24668E-05 2454 0.123E-02 0.595E-03
DAV: 21 -0.846221733913E+03 -0.44341E-04 -0.33422E-06 1977 0.433E-03 0.515E-03
DAV: 22 -0.846221757870E+03 -0.23958E-04 -0.22350E-06 1995 0.323E-03 0.236E-03
DAV: 23 -0.846221767587E+03 -0.97168E-05 -0.14886E-06 1977 0.302E-03
1 F= -.84622177E+03 E0= -.84622563E+03 d E =0.115959E-01