./iterations/neb0_image09_iter7_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 0.423347807252E+04 0.42335E+04 -0.23858E+05 2892 0.117E+03
DAV: 2 -0.426509213129E+03 -0.46600E+04 -0.45593E+04 3357 0.329E+02
DAV: 3 -0.942455150908E+03 -0.51595E+03 -0.51369E+03 3120 0.118E+02
DAV: 4 -0.954835978950E+03 -0.12381E+02 -0.12335E+02 3183 0.197E+01
DAV: 5 -0.955243540008E+03 -0.40756E+00 -0.40701E+00 3183 0.323E+00 0.811E+01
DAV: 6 -0.847339306229E+03 0.10790E+03 -0.47056E+02 3048 0.347E+01 0.376E+01
DAV: 7 -0.846838721394E+03 0.50058E+00 -0.14319E+01 3543 0.602E+00 0.146E+01
DAV: 8 -0.846555726264E+03 0.28300E+00 -0.11282E+00 3714 0.339E+00 0.633E+00
DAV: 9 -0.846392993503E+03 0.16273E+00 -0.85704E-01 3768 0.267E+00 0.215E+00
DAV: 10 -0.846398718413E+03 -0.57249E-02 -0.35442E-01 3534 0.175E+00 0.150E+00
DAV: 11 -0.846371772226E+03 0.26946E-01 -0.17143E-01 3426 0.103E+00 0.147E+00
DAV: 12 -0.846346002371E+03 0.25770E-01 -0.15555E-01 3579 0.769E-01 0.805E-01
DAV: 13 -0.846355086155E+03 -0.90838E-02 -0.21240E-01 3462 0.808E-01 0.118E+00
DAV: 14 -0.846334898138E+03 0.20188E-01 -0.88384E-02 3714 0.576E-01 0.535E-01
DAV: 15 -0.846331557248E+03 0.33409E-02 -0.24423E-02 3183 0.340E-01 0.357E-01
DAV: 16 -0.846330625564E+03 0.93168E-03 -0.95836E-03 3255 0.210E-01 0.221E-01
DAV: 17 -0.846330907045E+03 -0.28148E-03 -0.44632E-03 3336 0.131E-01 0.191E-01
DAV: 18 -0.846332767143E+03 -0.18601E-02 -0.59429E-03 3426 0.158E-01 0.266E-01
DAV: 19 -0.846334335833E+03 -0.15687E-02 -0.40455E-03 3210 0.153E-01 0.120E-01
DAV: 20 -0.846336878236E+03 -0.25424E-02 -0.19379E-03 3120 0.877E-02 0.891E-02
DAV: 21 -0.846340820815E+03 -0.39426E-02 -0.12005E-03 3084 0.728E-02 0.418E-02
DAV: 22 -0.846342899070E+03 -0.20783E-02 -0.38395E-04 3093 0.438E-02 0.484E-02
DAV: 23 -0.846343606973E+03 -0.70790E-03 -0.17922E-04 3138 0.250E-02 0.329E-02
DAV: 24 -0.846344008855E+03 -0.40188E-03 -0.10448E-04 2544 0.209E-02 0.208E-02
DAV: 25 -0.846344370327E+03 -0.36147E-03 -0.39576E-05 2319 0.185E-02 0.886E-03
DAV: 26 -0.846344558361E+03 -0.18803E-03 -0.19397E-05 2058 0.113E-02 0.570E-03
DAV: 27 -0.846344616112E+03 -0.57751E-04 -0.61776E-06 1986 0.585E-03 0.498E-03
DAV: 28 -0.846344632439E+03 -0.16327E-04 -0.18909E-06 2013 0.273E-03 0.423E-03
DAV: 29 -0.846344659062E+03 -0.26622E-04 -0.19318E-06 1932 0.292E-03 0.152E-03
DAV: 30 -0.846344666712E+03 -0.76501E-05 -0.11343E-06 1995 0.225E-03
1 F= -.84634467E+03 E0= -.84639403E+03 d E =0.148086E+00