iterations/neb0_image04_iter7_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 0.422296243091E+04 0.42230E+04 -0.23847E+05 2892 0.117E+03 DAV: 2 -0.426442418508E+03 -0.46494E+04 -0.45534E+04 3360 0.329E+02 DAV: 3 -0.939128498520E+03 -0.51269E+03 -0.51035E+03 3120 0.117E+02 DAV: 4 -0.951459521559E+03 -0.12331E+02 -0.12284E+02 3192 0.196E+01 DAV: 5 -0.951860716999E+03 -0.40120E+00 -0.40066E+00 3183 0.319E+00 0.811E+01 DAV: 6 -0.843590697336E+03 0.10827E+03 -0.47302E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.843096713308E+03 0.49398E+00 -0.14376E+01 3498 0.613E+00 0.146E+01 DAV: 8 -0.842763919693E+03 0.33279E+00 -0.95786E-01 3165 0.238E+00 0.596E+00 DAV: 9 -0.842725391717E+03 0.38528E-01 -0.40702E-01 3156 0.153E+00 0.864E-01 DAV: 10 -0.842730128685E+03 -0.47370E-02 -0.70892E-02 3129 0.594E-01 0.589E-01 DAV: 11 -0.842728906951E+03 0.12217E-02 -0.67631E-03 3129 0.212E-01 0.331E-01 DAV: 12 -0.842728605756E+03 0.30119E-03 -0.74193E-03 3156 0.248E-01 0.119E-01 DAV: 13 -0.842730578395E+03 -0.19726E-02 -0.42439E-03 3120 0.212E-01 0.137E-01 DAV: 14 -0.842734223883E+03 -0.36455E-02 -0.30969E-03 3093 0.146E-01 0.920E-02 DAV: 15 -0.842738661565E+03 -0.44377E-02 -0.12643E-03 3075 0.956E-02 0.393E-02 DAV: 16 -0.842740878496E+03 -0.22169E-02 -0.41418E-04 3120 0.489E-02 0.358E-02 DAV: 17 -0.842741878762E+03 -0.10003E-02 -0.19462E-04 3111 0.331E-02 0.250E-02 DAV: 18 -0.842742543983E+03 -0.66522E-03 -0.25757E-05 2238 0.162E-02 0.143E-02 DAV: 19 -0.842743173217E+03 -0.62923E-03 -0.42688E-05 2598 0.200E-02 0.753E-03 DAV: 20 -0.842743284784E+03 -0.11157E-03 -0.30238E-05 2652 0.141E-02 0.575E-03 DAV: 21 -0.842743338115E+03 -0.53331E-04 -0.38493E-06 2004 0.481E-03 0.526E-03 DAV: 22 -0.842743367871E+03 -0.29756E-04 -0.22478E-06 2031 0.340E-03 0.251E-03 DAV: 23 -0.842743380126E+03 -0.12255E-04 -0.16961E-06 1977 0.295E-03 0.115E-03 DAV: 24 -0.842743382028E+03 -0.19025E-05 -0.44048E-07 1995 0.139E-03 1 F= -.84274338E+03 E0= -.84274912E+03 d E =0.172223E-01