./iterations/neb0_image03_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 0.423322806977E+04 0.42332E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.428116005862E+03 -0.46613E+04 -0.45631E+04 3348 0.329E+02
DAV: 3 -0.942780278912E+03 -0.51466E+03 -0.51242E+03 3120 0.118E+02
DAV: 4 -0.955123693747E+03 -0.12343E+02 -0.12297E+02 3183 0.196E+01
DAV: 5 -0.955531275519E+03 -0.40758E+00 -0.40704E+00 3201 0.322E+00 0.812E+01
DAV: 6 -0.847358529241E+03 0.10817E+03 -0.47109E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846887713206E+03 0.47082E+00 -0.14385E+01 3534 0.611E+00 0.146E+01
DAV: 8 -0.846559128127E+03 0.32859E+00 -0.96325E-01 3165 0.238E+00 0.595E+00
DAV: 9 -0.846518026941E+03 0.41101E-01 -0.41022E-01 3183 0.152E+00 0.858E-01
DAV: 10 -0.846525144988E+03 -0.71180E-02 -0.72589E-02 3111 0.606E-01 0.599E-01
DAV: 11 -0.846525214610E+03 -0.69622E-04 -0.66167E-03 3111 0.209E-01 0.343E-01
DAV: 12 -0.846526520643E+03 -0.13060E-02 -0.67365E-03 3048 0.241E-01 0.117E-01
DAV: 13 -0.846529795080E+03 -0.32744E-02 -0.42471E-03 3219 0.210E-01 0.133E-01
DAV: 14 -0.846533746802E+03 -0.39517E-02 -0.28853E-03 3084 0.142E-01 0.933E-02
DAV: 15 -0.846538215460E+03 -0.44687E-02 -0.11057E-03 3102 0.859E-02 0.346E-02
DAV: 16 -0.846540572832E+03 -0.23574E-02 -0.42824E-04 3084 0.497E-02 0.368E-02
DAV: 17 -0.846541660826E+03 -0.10880E-02 -0.22228E-04 3093 0.372E-02 0.249E-02
DAV: 18 -0.846542310632E+03 -0.64981E-03 -0.29666E-05 2481 0.192E-02 0.136E-02
DAV: 19 -0.846542858720E+03 -0.54809E-03 -0.39979E-05 2688 0.214E-02 0.680E-03
DAV: 20 -0.846542958692E+03 -0.99972E-04 -0.28947E-05 2616 0.136E-02 0.641E-03
DAV: 21 -0.846543001644E+03 -0.42951E-04 -0.33094E-06 2004 0.469E-03 0.560E-03
DAV: 22 -0.846543023874E+03 -0.22230E-04 -0.21979E-06 1986 0.360E-03 0.258E-03
DAV: 23 -0.846543032135E+03 -0.82604E-05 -0.16236E-06 2004 0.310E-03
1 F= -.84654303E+03 E0= -.84654690E+03 d E =0.115959E-01