iterations/neb0_image05_iter24_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.423406418142E+04 0.42341E+04 -0.23857E+05 2892 0.117E+03 DAV: 2 -0.425013473602E+03 -0.46591E+04 -0.45632E+04 3351 0.329E+02 DAV: 3 -0.940837445229E+03 -0.51582E+03 -0.51352E+03 3120 0.118E+02 DAV: 4 -0.953263253201E+03 -0.12426E+02 -0.12379E+02 3201 0.196E+01 DAV: 5 -0.953666991888E+03 -0.40374E+00 -0.40319E+00 3183 0.320E+00 0.809E+01 DAV: 6 -0.845538156011E+03 0.10813E+03 -0.47090E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.845120772409E+03 0.41738E+00 -0.14450E+01 3543 0.606E+00 0.145E+01 DAV: 8 -0.844762681890E+03 0.35809E+00 -0.91327E-01 3147 0.241E+00 0.606E+00 DAV: 9 -0.844758518225E+03 0.41637E-02 -0.35650E-01 3966 0.287E+00 0.170E+00 DAV: 10 -0.844713945922E+03 0.44572E-01 -0.21833E-01 3255 0.117E+00 0.139E+00 DAV: 11 -0.844696570758E+03 0.17375E-01 -0.51815E-02 3138 0.528E-01 0.106E+00 DAV: 12 -0.844684474403E+03 0.12096E-01 -0.37366E-02 3687 0.687E-01 0.124E+00 DAV: 13 -0.844658380571E+03 0.26094E-01 -0.27618E-02 3570 0.573E-01 0.487E-01 DAV: 14 -0.844656616681E+03 0.17639E-02 -0.24978E-02 3129 0.380E-01 0.378E-01 DAV: 15 -0.844655327030E+03 0.12897E-02 -0.14514E-02 3705 0.273E-01 0.324E-01 DAV: 16 -0.844653773333E+03 0.15537E-02 -0.13767E-02 3345 0.254E-01 0.301E-01 DAV: 17 -0.844652963654E+03 0.80968E-03 -0.61602E-03 3003 0.203E-01 0.147E-01 DAV: 18 -0.844655362136E+03 -0.23985E-02 -0.95425E-03 3138 0.196E-01 0.295E-01 DAV: 19 -0.844655737282E+03 -0.37515E-03 -0.31152E-03 3102 0.117E-01 0.848E-02 DAV: 20 -0.844659300555E+03 -0.35633E-02 -0.10384E-03 3048 0.776E-02 0.498E-02 DAV: 21 -0.844661991333E+03 -0.26908E-02 -0.53232E-04 3093 0.635E-02 0.571E-02 DAV: 22 -0.844663420381E+03 -0.14290E-02 -0.40260E-04 3120 0.429E-02 0.430E-02 DAV: 23 -0.844664083414E+03 -0.66303E-03 -0.94934E-05 3093 0.189E-02 0.215E-02 DAV: 24 -0.844664727589E+03 -0.64418E-03 -0.53981E-05 2427 0.179E-02 0.143E-02 DAV: 25 -0.844664980186E+03 -0.25260E-03 -0.22049E-05 2022 0.137E-02 0.827E-03 DAV: 26 -0.844665079524E+03 -0.99338E-04 -0.12972E-05 1977 0.803E-03 0.643E-03 DAV: 27 -0.844665133918E+03 -0.54394E-04 -0.43266E-06 1977 0.491E-03 0.347E-03 DAV: 28 -0.844665162725E+03 -0.28807E-04 -0.26438E-06 1968 0.441E-03 0.458E-03 DAV: 29 -0.844665170644E+03 -0.79186E-05 -0.23448E-06 1995 0.384E-03 1 F= -.84466517E+03 E0= -.84471338E+03 d E =0.144623E+00