./iterations/neb0_image03_iter50_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 0.368100036865E+03 0.36810E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.399833330979E+01 -0.36410E+03 -0.35089E+03 845 0.195E+02
DAV: 3 -0.953455015433E+02 -0.99344E+02 -0.99011E+02 656 0.116E+02
DAV: 4 -0.100063385424E+03 -0.47179E+01 -0.47077E+01 704 0.294E+01
DAV: 5 -0.100155492743E+03 -0.92107E-01 -0.92066E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915395313678E+02 0.86160E+01 -0.30736E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906987938134E+02 0.84074E+00 -0.18828E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.902942292480E+02 0.40456E+00 -0.56748E-01 688 0.434E+00 0.166E+00
DAV: 9 -0.901975850864E+02 0.96644E-01 -0.14427E-01 704 0.176E+00 0.436E-01
DAV: 10 -0.901890677839E+02 0.85173E-02 -0.46982E-02 704 0.117E+00 0.326E-01
DAV: 11 -0.901928978653E+02 -0.38301E-02 -0.83481E-03 605 0.522E-01 0.121E-01
DAV: 12 -0.901959450459E+02 -0.30472E-02 -0.46262E-03 634 0.325E-01 0.128E-01
DAV: 13 -0.901990180613E+02 -0.30730E-02 -0.14836E-03 848 0.326E-01 0.669E-02
DAV: 14 -0.902024936668E+02 -0.34756E-02 -0.10664E-03 642 0.168E-01 0.511E-02
DAV: 15 -0.902049349611E+02 -0.24413E-02 -0.31448E-04 688 0.963E-02 0.331E-02
DAV: 16 -0.902065088301E+02 -0.15739E-02 -0.40762E-04 664 0.106E-01 0.276E-02
DAV: 17 -0.902072357730E+02 -0.72694E-03 -0.93298E-05 776 0.706E-02 0.157E-02
DAV: 18 -0.902076504344E+02 -0.41466E-03 -0.95674E-05 661 0.603E-02 0.787E-03
DAV: 19 -0.902077538616E+02 -0.10343E-03 -0.12615E-05 480 0.225E-02 0.562E-03
DAV: 20 -0.902078322906E+02 -0.78429E-04 -0.21444E-05 487 0.274E-02 0.667E-03
DAV: 21 -0.902078584909E+02 -0.26200E-04 -0.81559E-06 456 0.262E-02 0.746E-03
DAV: 22 -0.902078596655E+02 -0.11745E-05 -0.60461E-06 544 0.139E-02
1 F= -.90207860E+02 E0= -.90215751E+02 d E =0.236751E-01