iterations/neb0_image05_iter8_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 0.422194437591E+04 0.42219E+04 -0.23841E+05 2892 0.117E+03 DAV: 2 -0.423484546056E+03 -0.46454E+04 -0.45482E+04 3369 0.328E+02 DAV: 3 -0.937807225317E+03 -0.51432E+03 -0.51195E+03 3138 0.118E+02 DAV: 4 -0.950143413713E+03 -0.12336E+02 -0.12292E+02 3174 0.196E+01 DAV: 5 -0.950546445538E+03 -0.40303E+00 -0.40252E+00 3192 0.320E+00 0.810E+01 DAV: 6 -0.842514619469E+03 0.10803E+03 -0.47337E+02 3048 0.347E+01 0.375E+01 DAV: 7 -0.842023717294E+03 0.49090E+00 -0.14499E+01 3480 0.621E+00 0.146E+01 DAV: 8 -0.841691626541E+03 0.33209E+00 -0.99717E-01 3174 0.236E+00 0.604E+00 DAV: 9 -0.841658185580E+03 0.33441E-01 -0.41621E-01 3138 0.152E+00 0.100E+00 DAV: 10 -0.841653964245E+03 0.42213E-02 -0.77270E-02 3183 0.576E-01 0.667E-01 DAV: 11 -0.841652599102E+03 0.13651E-02 -0.10411E-02 3111 0.246E-01 0.325E-01 DAV: 12 -0.841650707038E+03 0.18921E-02 -0.56108E-03 3174 0.247E-01 0.127E-01 DAV: 13 -0.841651799090E+03 -0.10921E-02 -0.45248E-03 3075 0.215E-01 0.126E-01 DAV: 14 -0.841654659376E+03 -0.28603E-02 -0.20965E-03 3075 0.115E-01 0.877E-02 DAV: 15 -0.841657559990E+03 -0.29006E-02 -0.53644E-04 3066 0.544E-02 0.425E-02 DAV: 16 -0.841661431759E+03 -0.38718E-02 -0.86547E-04 3012 0.688E-02 0.381E-02 DAV: 17 -0.841662562171E+03 -0.11304E-02 -0.30842E-04 3102 0.371E-02 0.242E-02 DAV: 18 -0.841663388043E+03 -0.82587E-03 -0.34493E-05 2661 0.181E-02 0.158E-02 DAV: 19 -0.841664025826E+03 -0.63778E-03 -0.51312E-05 2733 0.235E-02 0.649E-03 DAV: 20 -0.841664173185E+03 -0.14736E-03 -0.26408E-05 2508 0.130E-02 0.606E-03 DAV: 21 -0.841664230233E+03 -0.57048E-04 -0.40913E-06 2031 0.436E-03 0.413E-03 DAV: 22 -0.841664267418E+03 -0.37185E-04 -0.29298E-06 2004 0.336E-03 0.193E-03 DAV: 23 -0.841664280374E+03 -0.12956E-04 -0.10872E-06 1995 0.309E-03 0.102E-03 DAV: 24 -0.841664284214E+03 -0.38399E-05 -0.95701E-07 2004 0.233E-03 1 F= -.84166428E+03 E0= -.84167269E+03 d E =0.252319E-01