./iterations/neb0_image02_iter60_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 0.423378821458E+04 0.42338E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430506275937E+03 -0.46643E+04 -0.45629E+04 3366 0.329E+02
DAV: 3 -0.943377786793E+03 -0.51287E+03 -0.51066E+03 3120 0.117E+02
DAV: 4 -0.955571550846E+03 -0.12194E+02 -0.12149E+02 3183 0.195E+01
DAV: 5 -0.955971803226E+03 -0.40025E+00 -0.39971E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847932238387E+03 0.10804E+03 -0.47063E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847468188565E+03 0.46405E+00 -0.14426E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847134215729E+03 0.33397E+00 -0.95964E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847088254771E+03 0.45961E-01 -0.40812E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847095344484E+03 -0.70897E-02 -0.72384E-02 3102 0.603E-01 0.593E-01
DAV: 11 -0.847095492955E+03 -0.14847E-03 -0.66407E-03 3120 0.207E-01 0.338E-01
DAV: 12 -0.847097165122E+03 -0.16722E-02 -0.70149E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847100743456E+03 -0.35783E-02 -0.43709E-03 3246 0.208E-01 0.135E-01
DAV: 14 -0.847104926280E+03 -0.41828E-02 -0.28712E-03 3111 0.141E-01 0.940E-02
DAV: 15 -0.847109662680E+03 -0.47364E-02 -0.11189E-03 3138 0.824E-02 0.337E-02
DAV: 16 -0.847112107443E+03 -0.24448E-02 -0.43957E-04 3111 0.483E-02 0.367E-02
DAV: 17 -0.847113200626E+03 -0.10932E-02 -0.20034E-04 3084 0.353E-02 0.248E-02
DAV: 18 -0.847113890178E+03 -0.68955E-03 -0.30240E-05 2472 0.189E-02 0.134E-02
DAV: 19 -0.847114447329E+03 -0.55715E-03 -0.38042E-05 2679 0.210E-02 0.690E-03
DAV: 20 -0.847114553372E+03 -0.10604E-03 -0.30135E-05 2616 0.142E-02 0.640E-03
DAV: 21 -0.847114591429E+03 -0.38057E-04 -0.35086E-06 1995 0.455E-03 0.573E-03
DAV: 22 -0.847114611125E+03 -0.19696E-04 -0.20916E-06 1995 0.338E-03 0.267E-03
DAV: 23 -0.847114619228E+03 -0.81038E-05 -0.16754E-06 1986 0.309E-03
1 F= -.84711462E+03 E0= -.84711848E+03 d E =0.115958E-01