./iterations/neb0_image07_iter65_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 0.423802813081E+04 0.42380E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428893932644E+03 -0.46669E+04 -0.45689E+04 3369 0.329E+02
DAV: 3 -0.942808316487E+03 -0.51391E+03 -0.51169E+03 3120 0.117E+02
DAV: 4 -0.955050165140E+03 -0.12242E+02 -0.12196E+02 3183 0.195E+01
DAV: 5 -0.955451329631E+03 -0.40116E+00 -0.40063E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847337279981E+03 0.10811E+03 -0.47061E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846888632872E+03 0.44865E+00 -0.14475E+01 3543 0.615E+00 0.146E+01
DAV: 8 -0.846523256767E+03 0.36538E+00 -0.15522E+00 3444 0.316E+00 0.618E+00
DAV: 9 -0.846448549628E+03 0.74707E-01 -0.61504E-01 3174 0.183E+00 0.113E+00
DAV: 10 -0.846440271704E+03 0.82779E-02 -0.12964E-01 3120 0.774E-01 0.735E-01
DAV: 11 -0.846432801203E+03 0.74705E-02 -0.21997E-02 3174 0.392E-01 0.404E-01
DAV: 12 -0.846427689273E+03 0.51119E-02 -0.68256E-03 3093 0.229E-01 0.152E-01
DAV: 13 -0.846426410766E+03 0.12785E-02 -0.44325E-03 3084 0.223E-01 0.114E-01
DAV: 14 -0.846429186361E+03 -0.27756E-02 -0.30895E-03 3066 0.168E-01 0.974E-02
DAV: 15 -0.846431812837E+03 -0.26265E-02 -0.17193E-03 3300 0.147E-01 0.145E-01
DAV: 16 -0.846432022409E+03 -0.20957E-03 -0.70303E-04 3120 0.542E-02 0.112E-01
DAV: 17 -0.846433264625E+03 -0.12422E-02 -0.26135E-04 3030 0.292E-02 0.100E-01
DAV: 18 -0.846436376625E+03 -0.31120E-02 -0.11920E-03 3840 0.940E-02 0.834E-02
DAV: 19 -0.846438854295E+03 -0.24777E-02 -0.82532E-04 3732 0.101E-01 0.929E-02
DAV: 20 -0.846439545378E+03 -0.69108E-03 -0.42665E-04 3219 0.624E-02 0.107E-01
DAV: 21 -0.846439697637E+03 -0.15226E-03 -0.86747E-05 3075 0.238E-02 0.112E-01
DAV: 22 -0.846439862968E+03 -0.16533E-03 -0.19511E-05 2346 0.243E-02 0.112E-01
DAV: 23 -0.846440779699E+03 -0.91673E-03 -0.55025E-04 4245 0.130E-01 0.130E-01
DAV: 24 -0.846440507872E+03 0.27183E-03 -0.17704E-04 3399 0.589E-02 0.118E-01
DAV: 25 -0.846440258812E+03 0.24906E-03 -0.47409E-04 4164 0.811E-02 0.793E-02
DAV: 26 -0.846440121912E+03 0.13690E-03 -0.35770E-04 3903 0.728E-02 0.619E-02
DAV: 27 -0.846439412159E+03 0.70975E-03 -0.15995E-03 4740 0.202E-01 0.138E-01
DAV: 28 -0.846438314519E+03 0.10976E-02 -0.17990E-03 3156 0.117E-01 0.240E-01
DAV: 29 -0.846439333163E+03 -0.10186E-02 -0.62687E-04 3129 0.969E-02 0.132E-01
DAV: 30 -0.846439794775E+03 -0.46161E-03 -0.39948E-04 2985 0.549E-02 0.971E-02
DAV: 31 -0.846440150824E+03 -0.35605E-03 -0.28924E-04 3840 0.659E-02 0.653E-02
DAV: 32 -0.846440344892E+03 -0.19407E-03 -0.14443E-04 3075 0.318E-02 0.553E-02
DAV: 33 -0.846440580214E+03 -0.23532E-03 -0.22292E-04 4299 0.679E-02 0.446E-02
DAV: 34 -0.846440678997E+03 -0.98783E-04 -0.13493E-04 3093 0.259E-02 0.465E-02
DAV: 35 -0.846440749472E+03 -0.70475E-04 -0.65759E-06 1977 0.155E-02 0.439E-02
DAV: 36 -0.846440895334E+03 -0.14586E-03 -0.71435E-05 3048 0.435E-02 0.456E-02
DAV: 37 -0.846440983910E+03 -0.88575E-04 -0.95261E-05 3138 0.291E-02 0.511E-02
DAV: 38 -0.846441002752E+03 -0.18842E-04 -0.34964E-05 2850 0.108E-02 0.537E-02
DAV: 39 -0.846441003258E+03 -0.50591E-06 -0.72335E-07 1905 0.155E-03
1 F= -.84644100E+03 E0= -.84644528E+03 d E =0.128317E-01