./iterations/neb0_image04_iter85_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.370448011836E+03 0.37045E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.501817361647E+01 -0.36543E+03 -0.35168E+03 842 0.195E+02
DAV: 3 -0.953792909848E+02 -0.10040E+03 -0.10007E+03 685 0.117E+02
DAV: 4 -0.997924977135E+02 -0.44132E+01 -0.44032E+01 704 0.280E+01
DAV: 5 -0.998775438201E+02 -0.85046E-01 -0.85005E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.913980693886E+02 0.84795E+01 -0.29888E+01 685 0.294E+01 0.116E+01
DAV: 7 -0.905445892134E+02 0.85348E+00 -0.17412E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901456644736E+02 0.39892E+00 -0.56380E-01 712 0.425E+00 0.163E+00
DAV: 9 -0.900516291108E+02 0.94035E-01 -0.13272E-01 712 0.173E+00 0.437E-01
DAV: 10 -0.900423078826E+02 0.93212E-02 -0.57533E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900465387294E+02 -0.42308E-02 -0.13621E-02 621 0.688E-01 0.139E-01
DAV: 12 -0.900485989276E+02 -0.20602E-02 -0.46203E-03 650 0.306E-01 0.137E-01
DAV: 13 -0.900521594584E+02 -0.35605E-02 -0.22295E-03 842 0.363E-01 0.750E-02
DAV: 14 -0.900556497716E+02 -0.34903E-02 -0.12256E-03 653 0.165E-01 0.622E-02
DAV: 15 -0.900582355038E+02 -0.25857E-02 -0.40953E-04 733 0.123E-01 0.380E-02
DAV: 16 -0.900596513419E+02 -0.14158E-02 -0.49781E-04 688 0.119E-01 0.305E-02
DAV: 17 -0.900606435899E+02 -0.99225E-03 -0.20183E-04 820 0.900E-02 0.145E-02
DAV: 18 -0.900609181897E+02 -0.27460E-03 -0.37501E-05 608 0.327E-02 0.804E-03
DAV: 19 -0.900610707091E+02 -0.15252E-03 -0.27163E-05 500 0.240E-02 0.376E-03
DAV: 20 -0.900611028988E+02 -0.32190E-04 -0.26371E-06 509 0.107E-02 0.353E-03
DAV: 21 -0.900611351294E+02 -0.32231E-04 -0.47469E-06 398 0.990E-03 0.263E-03
DAV: 22 -0.900611434393E+02 -0.83099E-05 -0.16767E-06 472 0.772E-03
1 F= -.90061143E+02 E0= -.90065447E+02 d E =0.129116E-01