./iterations/neb0_image05_iter30_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 0.423728692891E+04 0.42373E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.424721936759E+03 -0.46620E+04 -0.45665E+04 3351 0.329E+02
DAV: 3 -0.941191657750E+03 -0.51647E+03 -0.51417E+03 3120 0.118E+02
DAV: 4 -0.953617269001E+03 -0.12426E+02 -0.12378E+02 3192 0.196E+01
DAV: 5 -0.954026171847E+03 -0.40890E+00 -0.40834E+00 3183 0.322E+00 0.811E+01
DAV: 6 -0.845903448719E+03 0.10812E+03 -0.47052E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.845468450104E+03 0.43500E+00 -0.14533E+01 3552 0.606E+00 0.145E+01
DAV: 8 -0.845126654550E+03 0.34180E+00 -0.96389E-01 3165 0.238E+00 0.596E+00
DAV: 9 -0.845061395873E+03 0.65259E-01 -0.42704E-01 3183 0.151E+00 0.859E-01
DAV: 10 -0.845057697617E+03 0.36983E-02 -0.67611E-02 3111 0.592E-01 0.576E-01
DAV: 11 -0.845051508512E+03 0.61891E-02 -0.69794E-03 3138 0.238E-01 0.320E-01
DAV: 12 -0.845044160558E+03 0.73480E-02 -0.73931E-03 3363 0.320E-01 0.199E-01
DAV: 13 -0.845040521592E+03 0.36390E-02 -0.69155E-03 3147 0.260E-01 0.289E-01
DAV: 14 -0.845042870888E+03 -0.23493E-02 -0.26876E-03 3390 0.177E-01 0.238E-01
DAV: 15 -0.845044302012E+03 -0.14311E-02 -0.49594E-03 4254 0.211E-01 0.203E-01
DAV: 16 -0.845047536235E+03 -0.32342E-02 -0.46245E-03 3840 0.228E-01 0.177E-01
DAV: 17 -0.845057769466E+03 -0.10233E-01 -0.88618E-03 4884 0.491E-01 0.345E-01
DAV: 18 -0.845059139168E+03 -0.13697E-02 -0.73683E-03 3120 0.134E-01 0.426E-01
DAV: 19 -0.845061767863E+03 -0.26287E-02 -0.69784E-04 4758 0.949E-02 0.482E-01
DAV: 20 -0.845062767717E+03 -0.99985E-03 -0.43530E-04 3147 0.482E-02 0.517E-01
DAV: 21 -0.845063161710E+03 -0.39399E-03 -0.81442E-05 3084 0.187E-02 0.533E-01
DAV: 22 -0.845069667633E+03 -0.65059E-02 -0.51406E-03 3084 0.172E-01 0.743E-01
DAV: 23 -0.845108616734E+03 -0.38949E-01 -0.67725E-02 3057 0.593E-01 0.159E+00
DAV: 24 -0.845101464687E+03 0.71520E-02 -0.86359E-03 3165 0.266E-01 0.160E+00
DAV: 25 -0.845091638809E+03 0.98259E-02 -0.59275E-03 3363 0.215E-01 0.143E+00
DAV: 26 -0.845086772719E+03 0.48661E-02 -0.32944E-03 3120 0.135E-01 0.128E+00
DAV: 27 -0.845067259411E+03 0.19513E-01 -0.18993E-02 4497 0.547E-01 0.902E-01
DAV: 28 -0.845059646427E+03 0.76130E-02 -0.27353E-02 3111 0.411E-01 0.561E-01
DAV: 29 -0.845057381448E+03 0.22650E-02 -0.58310E-03 3147 0.208E-01 0.544E-01
DAV: 30 -0.845055401637E+03 0.19798E-02 -0.11997E-03 3858 0.134E-01 0.607E-01
DAV: 31 -0.845053139417E+03 0.22622E-02 -0.33853E-04 4200 0.113E-01 0.633E-01
DAV: 32 -0.845052520697E+03 0.61872E-03 -0.62681E-04 3120 0.512E-02 0.598E-01
DAV: 33 -0.845052532803E+03 -0.12106E-04 -0.15523E-05 2310 0.729E-03 0.598E-01
DAV: 34 -0.845053535824E+03 -0.10030E-02 -0.34898E-05 2598 0.397E-02 0.615E-01
DAV: 35 -0.845052810355E+03 0.72547E-03 -0.10017E-04 3219 0.480E-02 0.619E-01
DAV: 36 -0.845053108624E+03 -0.29827E-03 -0.18961E-04 3129 0.281E-02 0.643E-01
DAV: 37 -0.845053025863E+03 0.82761E-04 -0.31992E-05 2787 0.117E-02 0.633E-01
DAV: 38 -0.845054075790E+03 -0.10499E-02 -0.40634E-04 3039 0.344E-02 0.691E-01
DAV: 39 -0.845055433166E+03 -0.13574E-02 -0.10435E-03 3093 0.874E-02 0.737E-01
DAV: 40 -0.845056533443E+03 -0.11003E-02 -0.16213E-03 4686 0.239E-01 0.607E-01
DAV: 41 -0.845052577709E+03 0.39557E-02 -0.23079E-03 3039 0.100E-01 0.468E-01
DAV: 42 -0.845051416852E+03 0.11609E-02 -0.45629E-04 3894 0.962E-02 0.452E-01
DAV: 43 -0.845051044182E+03 0.37267E-03 -0.16975E-03 3093 0.115E-01 0.436E-01
DAV: 44 -0.845052764640E+03 -0.17205E-02 -0.57070E-04 3597 0.108E-01 0.533E-01
DAV: 45 -0.845053636783E+03 -0.87214E-03 -0.89477E-04 3084 0.624E-02 0.614E-01
DAV: 46 -0.845052945139E+03 0.69164E-03 -0.52828E-05 3012 0.270E-02 0.603E-01
DAV: 47 -0.845052826837E+03 0.11830E-03 -0.17196E-05 2301 0.110E-02 0.601E-01
DAV: 48 -0.845052757566E+03 0.69271E-04 -0.47220E-06 1743 0.460E-03 0.596E-01
DAV: 49 -0.845052687746E+03 0.69820E-04 -0.46718E-06 1896 0.640E-03 0.593E-01
DAV: 50 -0.845052683659E+03 0.40867E-05 -0.24973E-05 2625 0.221E-02
1 F= -.84505268E+03 E0= -.84506285E+03 d E =0.304885E-01