./iterations/neb0_image03_iter26_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 0.423276700663E+04 0.42328E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.428078147856E+03 -0.46608E+04 -0.45626E+04 3348 0.329E+02
DAV: 3 -0.942716639999E+03 -0.51464E+03 -0.51239E+03 3120 0.118E+02
DAV: 4 -0.955064537178E+03 -0.12348E+02 -0.12301E+02 3183 0.196E+01
DAV: 5 -0.955472303713E+03 -0.40777E+00 -0.40722E+00 3201 0.322E+00 0.812E+01
DAV: 6 -0.847337372108E+03 0.10813E+03 -0.47107E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846866584114E+03 0.47079E+00 -0.14329E+01 3534 0.609E+00 0.146E+01
DAV: 8 -0.846537080319E+03 0.32950E+00 -0.95706E-01 3165 0.238E+00 0.595E+00
DAV: 9 -0.846495760650E+03 0.41320E-01 -0.41065E-01 3192 0.153E+00 0.858E-01
DAV: 10 -0.846502708017E+03 -0.69474E-02 -0.72850E-02 3111 0.608E-01 0.600E-01
DAV: 11 -0.846502714423E+03 -0.64060E-05 -0.66776E-03 3102 0.210E-01 0.342E-01
DAV: 12 -0.846503895560E+03 -0.11811E-02 -0.66740E-03 3057 0.242E-01 0.117E-01
DAV: 13 -0.846507172428E+03 -0.32769E-02 -0.43062E-03 3201 0.213E-01 0.133E-01
DAV: 14 -0.846511239676E+03 -0.40672E-02 -0.29939E-03 3102 0.145E-01 0.926E-02
DAV: 15 -0.846515778759E+03 -0.45391E-02 -0.11782E-03 3102 0.887E-02 0.363E-02
DAV: 16 -0.846518005569E+03 -0.22268E-02 -0.39648E-04 3093 0.489E-02 0.368E-02
DAV: 17 -0.846519073281E+03 -0.10677E-02 -0.23320E-04 3111 0.372E-02 0.254E-02
DAV: 18 -0.846519752574E+03 -0.67929E-03 -0.30225E-05 2499 0.198E-02 0.135E-02
DAV: 19 -0.846520303162E+03 -0.55059E-03 -0.40260E-05 2733 0.217E-02 0.680E-03
DAV: 20 -0.846520398846E+03 -0.95684E-04 -0.28331E-05 2571 0.134E-02 0.636E-03
DAV: 21 -0.846520441672E+03 -0.42825E-04 -0.32794E-06 1995 0.452E-03 0.553E-03
DAV: 22 -0.846520465671E+03 -0.23999E-04 -0.22892E-06 1986 0.370E-03 0.251E-03
DAV: 23 -0.846520474088E+03 -0.84177E-05 -0.17019E-06 1995 0.322E-03
1 F= -.84652047E+03 E0= -.84652434E+03 d E =0.115959E-01