iterations/neb0_image03_iter2_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 0.423316962342E+04 0.42332E+04 -0.23867E+05 2892 0.117E+03 DAV: 2 -0.427202881406E+03 -0.46604E+04 -0.45624E+04 3369 0.329E+02 DAV: 3 -0.940161191315E+03 -0.51296E+03 -0.51064E+03 3120 0.117E+02 DAV: 4 -0.952411889544E+03 -0.12251E+02 -0.12205E+02 3183 0.195E+01 DAV: 5 -0.952815723231E+03 -0.40383E+00 -0.40333E+00 3210 0.320E+00 0.817E+01 DAV: 6 -0.843146549293E+03 0.10967E+03 -0.47570E+02 3057 0.349E+01 0.379E+01 DAV: 7 -0.842569750310E+03 0.57680E+00 -0.14574E+01 3516 0.617E+00 0.147E+01 DAV: 8 -0.842202211135E+03 0.36754E+00 -0.96836E-01 3165 0.241E+00 0.600E+00 DAV: 9 -0.842145275084E+03 0.56936E-01 -0.43937E-01 3174 0.161E+00 0.897E-01 DAV: 10 -0.842148918390E+03 -0.36433E-02 -0.75851E-02 3111 0.619E-01 0.600E-01 DAV: 11 -0.842146910540E+03 0.20078E-02 -0.88647E-03 3138 0.226E-01 0.327E-01 DAV: 12 -0.842146223554E+03 0.68699E-03 -0.64401E-03 3138 0.243E-01 0.123E-01 DAV: 13 -0.842148717896E+03 -0.24943E-02 -0.54831E-03 3102 0.244E-01 0.131E-01 DAV: 14 -0.842153295185E+03 -0.45773E-02 -0.37690E-03 3093 0.159E-01 0.851E-02 DAV: 15 -0.842156449889E+03 -0.31547E-02 -0.79448E-04 3093 0.689E-02 0.405E-02 DAV: 16 -0.842159589784E+03 -0.31399E-02 -0.45700E-04 3066 0.486E-02 0.314E-02 DAV: 17 -0.842160686256E+03 -0.10965E-02 -0.17432E-04 3102 0.289E-02 0.244E-02 DAV: 18 -0.842161620528E+03 -0.93427E-03 -0.37632E-05 2742 0.178E-02 0.152E-02 DAV: 19 -0.842162225813E+03 -0.60528E-03 -0.46252E-05 2697 0.232E-02 0.661E-03 DAV: 20 -0.842162362715E+03 -0.13690E-03 -0.37125E-05 2742 0.157E-02 0.805E-03 DAV: 21 -0.842162393780E+03 -0.31065E-04 -0.41718E-06 2004 0.437E-03 0.621E-03 DAV: 22 -0.842162408944E+03 -0.15164E-04 -0.19691E-06 1986 0.267E-03 0.338E-03 DAV: 23 -0.842162425167E+03 -0.16223E-04 -0.22286E-06 2004 0.281E-03 0.104E-03 DAV: 24 -0.842162426884E+03 -0.17165E-05 -0.52166E-07 2013 0.138E-03 1 F= -.84216243E+03 E0= -.84216678E+03 d E =0.130586E-01