./iterations/neb0_image09_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 0.423618160999E+04 0.42362E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.426498352041E+03 -0.46627E+04 -0.45623E+04 3357 0.329E+02
DAV: 3 -0.942828519305E+03 -0.51633E+03 -0.51413E+03 3120 0.118E+02
DAV: 4 -0.955208640953E+03 -0.12380E+02 -0.12335E+02 3183 0.197E+01
DAV: 5 -0.955616377072E+03 -0.40774E+00 -0.40720E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847644332313E+03 0.10797E+03 -0.47130E+02 3084 0.348E+01 0.376E+01
DAV: 7 -0.847040884460E+03 0.60345E+00 -0.14760E+01 3516 0.635E+00 0.148E+01
DAV: 8 -0.846713042775E+03 0.32784E+00 -0.19493E+00 3192 0.369E+00 0.607E+00
DAV: 9 -0.846615815149E+03 0.97228E-01 -0.73021E-01 3264 0.209E+00 0.134E+00
DAV: 10 -0.846596874468E+03 0.18941E-01 -0.14748E-01 3120 0.963E-01 0.111E+00
DAV: 11 -0.846580394695E+03 0.16480E-01 -0.30006E-02 3831 0.745E-01 0.105E+00
DAV: 12 -0.846562476087E+03 0.17919E-01 -0.69863E-02 3930 0.875E-01 0.102E+00
DAV: 13 -0.846558488843E+03 0.39872E-02 -0.59965E-02 3588 0.562E-01 0.543E-01
DAV: 14 -0.846553792476E+03 0.46964E-02 -0.88962E-02 3093 0.668E-01 0.802E-01
DAV: 15 -0.846546722860E+03 0.70696E-02 -0.18919E-02 3300 0.293E-01 0.251E-01
DAV: 16 -0.846547033210E+03 -0.31035E-03 -0.14720E-02 3021 0.337E-01 0.341E-01
DAV: 17 -0.846546495893E+03 0.53732E-03 -0.61737E-03 3192 0.171E-01 0.248E-01
DAV: 18 -0.846547219586E+03 -0.72369E-03 -0.39980E-03 3057 0.126E-01 0.138E-01
DAV: 19 -0.846550012079E+03 -0.27925E-02 -0.33001E-03 3246 0.131E-01 0.972E-02
DAV: 20 -0.846552912368E+03 -0.29003E-02 -0.13891E-03 3138 0.955E-02 0.789E-02
DAV: 21 -0.846555188385E+03 -0.22760E-02 -0.75065E-04 3093 0.790E-02 0.557E-02
DAV: 22 -0.846556862354E+03 -0.16740E-02 -0.38858E-04 3084 0.414E-02 0.433E-02
DAV: 23 -0.846558183597E+03 -0.13212E-02 -0.21789E-04 3075 0.472E-02 0.377E-02
DAV: 24 -0.846558908181E+03 -0.72458E-03 -0.17508E-04 2976 0.347E-02 0.199E-02
DAV: 25 -0.846559280223E+03 -0.37204E-03 -0.56759E-05 2616 0.223E-02 0.974E-03
DAV: 26 -0.846559493351E+03 -0.21313E-03 -0.19074E-05 1986 0.137E-02 0.786E-03
DAV: 27 -0.846559624269E+03 -0.13092E-03 -0.10522E-05 1968 0.998E-03 0.877E-03
DAV: 28 -0.846559657217E+03 -0.32948E-04 -0.61837E-06 1995 0.686E-03 0.296E-03
DAV: 29 -0.846559669070E+03 -0.11853E-04 -0.20880E-06 1995 0.328E-03 0.307E-03
DAV: 30 -0.846559679618E+03 -0.10549E-04 -0.10677E-06 1977 0.210E-03 0.170E-03
DAV: 31 -0.846559685361E+03 -0.57430E-05 -0.88972E-07 1950 0.217E-03
1 F= -.84655969E+03 E0= -.84660910E+03 d E =0.148253E+00