iterations/neb0_image07_iter62_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 0.423789427892E+04 0.42379E+04 -0.23864E+05 2892 0.117E+03 DAV: 2 -0.428915521410E+03 -0.46668E+04 -0.45691E+04 3369 0.329E+02 DAV: 3 -0.942804157382E+03 -0.51389E+03 -0.51166E+03 3120 0.117E+02 DAV: 4 -0.955046778405E+03 -0.12243E+02 -0.12197E+02 3183 0.195E+01 DAV: 5 -0.955447831355E+03 -0.40105E+00 -0.40052E+00 3201 0.320E+00 0.812E+01 DAV: 6 -0.847345419548E+03 0.10810E+03 -0.47068E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.846850089322E+03 0.49533E+00 -0.14526E+01 3543 0.608E+00 0.146E+01 DAV: 8 -0.846563132598E+03 0.28696E+00 -0.10211E+00 3426 0.305E+00 0.621E+00 DAV: 9 -0.846434784059E+03 0.12835E+00 -0.77577E-01 3741 0.246E+00 0.176E+00 DAV: 10 -0.846415986532E+03 0.18798E-01 -0.14755E-01 3381 0.103E+00 0.112E+00 DAV: 11 -0.846390848448E+03 0.25138E-01 -0.73153E-02 3291 0.824E-01 0.888E-01 DAV: 12 -0.846383022633E+03 0.78258E-02 -0.50670E-02 3444 0.460E-01 0.585E-01 DAV: 13 -0.846377105367E+03 0.59173E-02 -0.35143E-02 3363 0.366E-01 0.369E-01 DAV: 14 -0.846372955168E+03 0.41502E-02 -0.11619E-02 3264 0.303E-01 0.319E-01 DAV: 15 -0.846374328899E+03 -0.13737E-02 -0.24134E-02 3579 0.279E-01 0.590E-01 DAV: 16 -0.846372245401E+03 0.20835E-02 -0.30953E-02 3669 0.231E-01 0.437E-01 DAV: 17 -0.846374017312E+03 -0.17719E-02 -0.10776E-02 3381 0.187E-01 0.380E-01 DAV: 18 -0.846375701063E+03 -0.16838E-02 -0.37510E-03 3174 0.146E-01 0.831E-02 DAV: 19 -0.846379062496E+03 -0.33614E-02 -0.20810E-03 3183 0.132E-01 0.209E-01 DAV: 20 -0.846380979591E+03 -0.19171E-02 -0.10580E-03 3345 0.871E-02 0.522E-02 DAV: 21 -0.846382102937E+03 -0.11233E-02 -0.23844E-04 3147 0.549E-02 0.105E-01 DAV: 22 -0.846382916015E+03 -0.81308E-03 -0.14286E-04 3174 0.394E-02 0.732E-02 DAV: 23 -0.846383536166E+03 -0.62015E-03 -0.15210E-04 3192 0.304E-02 0.221E-02 DAV: 24 -0.846383875266E+03 -0.33910E-03 -0.31991E-05 2679 0.266E-02 0.127E-02 DAV: 25 -0.846384043461E+03 -0.16819E-03 -0.62770E-05 2967 0.194E-02 0.267E-02 DAV: 26 -0.846384103166E+03 -0.59704E-04 -0.88462E-06 2040 0.111E-02 0.139E-02 DAV: 27 -0.846384147108E+03 -0.43942E-04 -0.56291E-06 1968 0.981E-03 0.145E-02 DAV: 28 -0.846384156508E+03 -0.94004E-05 -0.64412E-06 1968 0.875E-03 1 F= -.84638416E+03 E0= -.84643028E+03 d E =0.138365E+00