./iterations/neb0_image01_iter45_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 0.423158280859E+04 0.42316E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430703700690E+03 -0.46623E+04 -0.45593E+04 3360 0.329E+02
DAV: 3 -0.943493600814E+03 -0.51279E+03 -0.51058E+03 3120 0.117E+02
DAV: 4 -0.955705266820E+03 -0.12212E+02 -0.12166E+02 3183 0.195E+01
DAV: 5 -0.956106503520E+03 -0.40124E+00 -0.40069E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.848034746940E+03 0.10807E+03 -0.47107E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847568751510E+03 0.46600E+00 -0.14382E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847232108072E+03 0.33664E+00 -0.95577E-01 3156 0.237E+00 0.593E+00
DAV: 9 -0.847186735493E+03 0.45373E-01 -0.41097E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.847193274851E+03 -0.65394E-02 -0.70857E-02 3129 0.597E-01 0.589E-01
DAV: 11 -0.847193095434E+03 0.17942E-03 -0.64933E-03 3120 0.207E-01 0.333E-01
DAV: 12 -0.847194522455E+03 -0.14270E-02 -0.70497E-03 3048 0.244E-01 0.117E-01
DAV: 13 -0.847197910684E+03 -0.33882E-02 -0.43586E-03 3192 0.210E-01 0.135E-01
DAV: 14 -0.847201884844E+03 -0.39742E-02 -0.28256E-03 3111 0.138E-01 0.939E-02
DAV: 15 -0.847206784483E+03 -0.48996E-02 -0.12461E-03 3057 0.878E-02 0.367E-02
DAV: 16 -0.847208978570E+03 -0.21941E-02 -0.40363E-04 3138 0.481E-02 0.368E-02
DAV: 17 -0.847210025270E+03 -0.10467E-02 -0.20159E-04 3084 0.341E-02 0.252E-02
DAV: 18 -0.847210744504E+03 -0.71923E-03 -0.27521E-05 2355 0.186E-02 0.136E-02
DAV: 19 -0.847211302733E+03 -0.55823E-03 -0.41454E-05 2706 0.213E-02 0.733E-03
DAV: 20 -0.847211395592E+03 -0.92859E-04 -0.32493E-05 2697 0.144E-02 0.685E-03
DAV: 21 -0.847211429474E+03 -0.33882E-04 -0.32984E-06 2004 0.424E-03 0.593E-03
DAV: 22 -0.847211449722E+03 -0.20247E-04 -0.20729E-06 1995 0.340E-03 0.277E-03
DAV: 23 -0.847211458292E+03 -0.85709E-05 -0.16333E-06 1995 0.310E-03
1 F= -.84721146E+03 E0= -.84721532E+03 d E =0.115958E-01