./iterations/neb0_image06_iter46_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 0.423995664971E+04 0.42400E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428260216021E+03 -0.46682E+04 -0.45715E+04 3366 0.329E+02
DAV: 3 -0.942326767209E+03 -0.51407E+03 -0.51183E+03 3120 0.117E+02
DAV: 4 -0.954596911556E+03 -0.12270E+02 -0.12224E+02 3201 0.196E+01
DAV: 5 -0.954993736025E+03 -0.39682E+00 -0.39627E+00 3174 0.319E+00 0.811E+01
DAV: 6 -0.846994955640E+03 0.10800E+03 -0.46998E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846527816734E+03 0.46714E+00 -0.14588E+01 3543 0.607E+00 0.146E+01
DAV: 8 -0.846174750794E+03 0.35307E+00 -0.96450E-01 3156 0.234E+00 0.596E+00
DAV: 9 -0.846104304427E+03 0.70446E-01 -0.42627E-01 3183 0.148E+00 0.866E-01
DAV: 10 -0.846099735397E+03 0.45690E-02 -0.67479E-02 3120 0.581E-01 0.575E-01
DAV: 11 -0.846093470369E+03 0.62650E-02 -0.67595E-03 3138 0.229E-01 0.314E-01
DAV: 12 -0.846087739257E+03 0.57311E-02 -0.72891E-03 3093 0.275E-01 0.124E-01
DAV: 13 -0.846087505858E+03 0.23340E-03 -0.51422E-03 3075 0.245E-01 0.147E-01
DAV: 14 -0.846090802452E+03 -0.32966E-02 -0.34978E-03 3066 0.163E-01 0.995E-02
DAV: 15 -0.846096059292E+03 -0.52568E-02 -0.15936E-03 3129 0.126E-01 0.450E-02
DAV: 16 -0.846098206222E+03 -0.21469E-02 -0.58187E-04 3111 0.633E-02 0.386E-02
DAV: 17 -0.846099151658E+03 -0.94544E-03 -0.18631E-04 3120 0.286E-02 0.252E-02
DAV: 18 -0.846100154356E+03 -0.10027E-02 -0.41143E-05 2625 0.169E-02 0.107E-02
DAV: 19 -0.846100850196E+03 -0.69584E-03 -0.37032E-05 2616 0.191E-02 0.894E-03
DAV: 20 -0.846100954726E+03 -0.10453E-03 -0.28139E-05 2643 0.122E-02 0.647E-03
DAV: 21 -0.846101008852E+03 -0.54126E-04 -0.37294E-06 1959 0.577E-03 0.391E-03
DAV: 22 -0.846101082868E+03 -0.74016E-04 -0.55362E-06 1950 0.694E-03 0.273E-03
DAV: 23 -0.846101091837E+03 -0.89687E-05 -0.31706E-06 1995 0.436E-03
1 F= -.84610109E+03 E0= -.84610548E+03 d E =0.131754E-01