iterations/neb0_image08_iter8_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 0.422945623663E+04 0.42295E+04 -0.23852E+05 2892 0.117E+03
DAV: 2 -0.423253554304E+03 -0.46527E+04 -0.45527E+04 3342 0.329E+02
DAV: 3 -0.941337522248E+03 -0.51808E+03 -0.51579E+03 3120 0.118E+02
DAV: 4 -0.953880132165E+03 -0.12543E+02 -0.12495E+02 3192 0.197E+01
DAV: 5 -0.954295324380E+03 -0.41519E+00 -0.41465E+00 3183 0.324E+00 0.810E+01
DAV: 6 -0.846537730945E+03 0.10776E+03 -0.47049E+02 3048 0.346E+01 0.375E+01
DAV: 7 -0.846074077002E+03 0.46365E+00 -0.14269E+01 3534 0.604E+00 0.146E+01
DAV: 8 -0.845722896723E+03 0.35118E+00 -0.92713E-01 3174 0.230E+00 0.597E+00
DAV: 9 -0.845654895033E+03 0.68002E-01 -0.42092E-01 3174 0.148E+00 0.882E-01
DAV: 10 -0.845649717955E+03 0.51771E-02 -0.65616E-02 3156 0.581E-01 0.571E-01
DAV: 11 -0.845642944525E+03 0.67734E-02 -0.71884E-03 3138 0.233E-01 0.310E-01
DAV: 12 -0.845636858199E+03 0.60863E-02 -0.71452E-03 3129 0.270E-01 0.127E-01
DAV: 13 -0.845636236613E+03 0.62159E-03 -0.49848E-03 3048 0.254E-01 0.150E-01
DAV: 14 -0.845639380321E+03 -0.31437E-02 -0.37438E-03 3075 0.175E-01 0.102E-01
DAV: 15 -0.845642981458E+03 -0.36011E-02 -0.97602E-04 3192 0.115E-01 0.560E-02
DAV: 16 -0.845645200467E+03 -0.22190E-02 -0.89946E-04 3480 0.116E-01 0.103E-01
DAV: 17 -0.845645687939E+03 -0.48747E-03 -0.46069E-04 3363 0.786E-02 0.694E-02
DAV: 18 -0.845646163141E+03 -0.47520E-03 -0.25913E-04 3057 0.342E-02 0.670E-02
DAV: 19 -0.845646646035E+03 -0.48289E-03 -0.37153E-05 2742 0.372E-02 0.553E-02
DAV: 20 -0.845648748873E+03 -0.21028E-02 -0.63139E-04 4461 0.157E-01 0.610E-02
DAV: 21 -0.845649081942E+03 -0.33307E-03 -0.87599E-04 3156 0.563E-02 0.888E-02
DAV: 22 -0.845649052331E+03 0.29611E-04 -0.47645E-05 3003 0.183E-02 0.920E-02
DAV: 23 -0.845649078862E+03 -0.26531E-04 -0.33754E-06 2040 0.467E-03 0.910E-02
DAV: 24 -0.845649064497E+03 0.14365E-04 -0.65742E-07 1824 0.324E-03 0.908E-02
DAV: 25 -0.845648957529E+03 0.10697E-03 -0.11383E-05 2400 0.279E-02 0.841E-02
DAV: 26 -0.845648472586E+03 0.48494E-03 -0.12363E-03 4605 0.227E-01 0.119E-01
DAV: 27 -0.845647682588E+03 0.79000E-03 -0.16734E-03 3237 0.121E-01 0.199E-01
DAV: 28 -0.845648409028E+03 -0.72644E-03 -0.40426E-04 3093 0.890E-02 0.104E-01
DAV: 29 -0.845649386418E+03 -0.97739E-03 -0.84488E-04 4542 0.195E-01 0.446E-02
DAV: 30 -0.845650152359E+03 -0.76594E-03 -0.11461E-03 3309 0.108E-01 0.601E-02
DAV: 31 -0.845650294871E+03 -0.14251E-03 -0.28170E-04 3120 0.300E-02 0.696E-02
DAV: 32 -0.845650335470E+03 -0.40600E-04 -0.64596E-06 2022 0.602E-03 0.653E-02
DAV: 33 -0.845650515668E+03 -0.18020E-03 -0.59534E-05 2967 0.320E-02 0.623E-02
DAV: 34 -0.845650579431E+03 -0.63763E-04 -0.26474E-05 2571 0.150E-02 0.662E-02
DAV: 35 -0.845650538947E+03 0.40483E-04 -0.60270E-06 2040 0.122E-02 0.651E-02
DAV: 36 -0.845650621866E+03 -0.82919E-04 0.32724E-07 2067 0.189E-02 0.682E-02
DAV: 37 -0.845650583547E+03 0.38319E-04 -0.54623E-07 1905 0.885E-03 0.668E-02
DAV: 38 -0.845650583484E+03 0.63148E-07 -0.81303E-07 1653 0.133E-03
1 F= -.84565058E+03 E0= -.84565519E+03 d E =0.138301E-01