./iterations/neb0_image04_iter24_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 0.423171901252E+04 0.42317E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.428724542072E+03 -0.46604E+04 -0.45659E+04 3360 0.329E+02
DAV: 3 -0.942041526685E+03 -0.51332E+03 -0.51105E+03 3120 0.117E+02
DAV: 4 -0.954338749507E+03 -0.12297E+02 -0.12250E+02 3192 0.196E+01
DAV: 5 -0.954742901329E+03 -0.40415E+00 -0.40357E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.846578966470E+03 0.10816E+03 -0.47100E+02 3066 0.347E+01 0.375E+01
DAV: 7 -0.846125621518E+03 0.45334E+00 -0.14385E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.845797927097E+03 0.32769E+00 -0.97069E-01 3156 0.240E+00 0.596E+00
DAV: 9 -0.845755281089E+03 0.42646E-01 -0.41639E-01 3183 0.153E+00 0.855E-01
DAV: 10 -0.845760586730E+03 -0.53056E-02 -0.71888E-02 3120 0.601E-01 0.603E-01
DAV: 11 -0.845759501286E+03 0.10854E-02 -0.64741E-03 3111 0.212E-01 0.346E-01
DAV: 12 -0.845759198060E+03 0.30323E-03 -0.69376E-03 3111 0.251E-01 0.118E-01
DAV: 13 -0.845761379947E+03 -0.21819E-02 -0.43719E-03 3183 0.217E-01 0.136E-01
DAV: 14 -0.845764914139E+03 -0.35342E-02 -0.30829E-03 3093 0.149E-01 0.952E-02
DAV: 15 -0.845769494977E+03 -0.45808E-02 -0.13007E-03 3066 0.979E-02 0.406E-02
DAV: 16 -0.845771664690E+03 -0.21697E-02 -0.41217E-04 3093 0.517E-02 0.380E-02
DAV: 17 -0.845772752679E+03 -0.10880E-02 -0.25171E-04 3129 0.380E-02 0.263E-02
DAV: 18 -0.845773472358E+03 -0.71968E-03 -0.32743E-05 2544 0.195E-02 0.135E-02
DAV: 19 -0.845774073131E+03 -0.60077E-03 -0.38648E-05 2661 0.213E-02 0.713E-03
DAV: 20 -0.845774161439E+03 -0.88308E-04 -0.30124E-05 2706 0.132E-02 0.645E-03
DAV: 21 -0.845774207661E+03 -0.46222E-04 -0.28500E-06 1977 0.402E-03 0.541E-03
DAV: 22 -0.845774238953E+03 -0.31292E-04 -0.27025E-06 1968 0.377E-03 0.212E-03
DAV: 23 -0.845774248895E+03 -0.99418E-05 -0.15687E-06 1995 0.310E-03
1 F= -.84577425E+03 E0= -.84577811E+03 d E =0.115959E-01