./neb0_image04_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 0.423753252691E+04 0.42375E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.428872963841E+03 -0.46664E+04 -0.45697E+04 3357 0.329E+02
DAV: 3 -0.942902363912E+03 -0.51403E+03 -0.51179E+03 3120 0.117E+02
DAV: 4 -0.955214313017E+03 -0.12312E+02 -0.12266E+02 3183 0.196E+01
DAV: 5 -0.955619761557E+03 -0.40545E+00 -0.40491E+00 3219 0.321E+00 0.813E+01
DAV: 6 -0.847558511778E+03 0.10806E+03 -0.47046E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847099109059E+03 0.45940E+00 -0.14453E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846766570673E+03 0.33254E+00 -0.96512E-01 3156 0.236E+00 0.594E+00
DAV: 9 -0.846717964998E+03 0.48606E-01 -0.40736E-01 3192 0.151E+00 0.853E-01
DAV: 10 -0.846723219007E+03 -0.52540E-02 -0.73601E-02 3111 0.610E-01 0.594E-01
DAV: 11 -0.846722440687E+03 0.77832E-03 -0.66561E-03 3102 0.211E-01 0.341E-01
DAV: 12 -0.846722817227E+03 -0.37654E-03 -0.71270E-03 3057 0.246E-01 0.119E-01
DAV: 13 -0.846725670881E+03 -0.28537E-02 -0.44122E-03 3156 0.215E-01 0.137E-01
DAV: 14 -0.846729602412E+03 -0.39315E-02 -0.31120E-03 3120 0.147E-01 0.968E-02
DAV: 15 -0.846734133402E+03 -0.45310E-02 -0.11343E-03 3066 0.873E-02 0.350E-02
DAV: 16 -0.846736499170E+03 -0.23658E-02 -0.44702E-04 3102 0.502E-02 0.367E-02
DAV: 17 -0.846737701233E+03 -0.12021E-02 -0.22066E-04 3102 0.367E-02 0.251E-02
DAV: 18 -0.846738404878E+03 -0.70364E-03 -0.29522E-05 2454 0.189E-02 0.141E-02
DAV: 19 -0.846738982961E+03 -0.57808E-03 -0.42114E-05 2670 0.213E-02 0.712E-03
DAV: 20 -0.846739087770E+03 -0.10481E-03 -0.31101E-05 2679 0.139E-02 0.682E-03
DAV: 21 -0.846739131062E+03 -0.43292E-04 -0.34867E-06 1995 0.461E-03 0.606E-03
DAV: 22 -0.846739152736E+03 -0.21674E-04 -0.24227E-06 1977 0.353E-03 0.276E-03
DAV: 23 -0.846739159524E+03 -0.67872E-05 -0.17358E-06 2004 0.288E-03
1 F= -.84673916E+03 E0= -.84674302E+03 d E =0.115958E-01