iterations/neb0_image02_iter71_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 0.365278141959E+03 0.36528E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.410809942785E+01 -0.36117E+03 -0.34646E+03 834 0.195E+02
DAV: 3 -0.957112104044E+02 -0.99819E+02 -0.99487E+02 685 0.116E+02
DAV: 4 -0.100187519837E+03 -0.44763E+01 -0.44659E+01 696 0.278E+01
DAV: 5 -0.100274019790E+03 -0.86500E-01 -0.86457E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916484531875E+02 0.86256E+01 -0.31029E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908265833649E+02 0.82187E+00 -0.18415E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904390923755E+02 0.38749E+00 -0.55717E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903477973515E+02 0.91295E-01 -0.14051E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903412668925E+02 0.65305E-02 -0.47049E-02 712 0.126E+00 0.321E-01
DAV: 11 -0.903450010499E+02 -0.37342E-02 -0.72522E-03 608 0.485E-01 0.144E-01
DAV: 12 -0.903484326715E+02 -0.34316E-02 -0.70242E-03 621 0.462E-01 0.130E-01
DAV: 13 -0.903511451499E+02 -0.27125E-02 -0.14468E-03 920 0.325E-01 0.786E-02
DAV: 14 -0.903542675626E+02 -0.31224E-02 -0.13637E-03 637 0.176E-01 0.563E-02
DAV: 15 -0.903566488685E+02 -0.23813E-02 -0.40936E-04 677 0.115E-01 0.422E-02
DAV: 16 -0.903580629350E+02 -0.14141E-02 -0.63287E-04 656 0.139E-01 0.329E-02
DAV: 17 -0.903589173940E+02 -0.85446E-03 -0.18278E-04 834 0.925E-02 0.172E-02
DAV: 18 -0.903590669721E+02 -0.14958E-03 -0.36232E-05 712 0.327E-02 0.931E-03
DAV: 19 -0.903592685705E+02 -0.20160E-03 -0.32541E-05 553 0.286E-02 0.442E-03
DAV: 20 -0.903593055600E+02 -0.36990E-04 -0.31359E-06 477 0.982E-03 0.449E-03
DAV: 21 -0.903593589050E+02 -0.53345E-04 -0.86382E-06 400 0.170E-02 0.174E-03
DAV: 22 -0.903593678277E+02 -0.89226E-05 -0.35644E-06 477 0.891E-03
1 F= -.90359368E+02 E0= -.90365140E+02 d E =0.173166E-01