./iterations/neb0_image07_iter144_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 0.372401559065E+03 0.37240E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.382688603081E+01 -0.36857E+03 -0.35628E+03 869 0.194E+02
DAV: 3 -0.964760686080E+02 -0.10030E+03 -0.99980E+02 688 0.116E+02
DAV: 4 -0.101045848541E+03 -0.45698E+01 -0.45563E+01 704 0.280E+01
DAV: 5 -0.101137975181E+03 -0.92127E-01 -0.92077E-01 728 0.357E+00 0.227E+01
DAV: 6 -0.925261312240E+02 0.86118E+01 -0.30619E+01 712 0.300E+01 0.119E+01
DAV: 7 -0.916668176413E+02 0.85931E+00 -0.16964E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.912911308732E+02 0.37569E+00 -0.54422E-01 720 0.399E+00 0.162E+00
DAV: 9 -0.912092966718E+02 0.81834E-01 -0.12749E-01 720 0.155E+00 0.424E-01
DAV: 10 -0.912002667051E+02 0.90300E-02 -0.41769E-02 741 0.106E+00 0.293E-01
DAV: 11 -0.912049161577E+02 -0.46495E-02 -0.12160E-02 605 0.575E-01 0.149E-01
DAV: 12 -0.912075599538E+02 -0.26438E-02 -0.24025E-03 626 0.240E-01 0.973E-02
DAV: 13 -0.912114353187E+02 -0.38754E-02 -0.15852E-03 634 0.202E-01 0.468E-02
DAV: 14 -0.912142581149E+02 -0.28228E-02 -0.49565E-04 736 0.154E-01 0.303E-02
DAV: 15 -0.912163181518E+02 -0.20600E-02 -0.31762E-04 656 0.928E-02 0.322E-02
DAV: 16 -0.912175466596E+02 -0.12285E-02 -0.18551E-04 680 0.666E-02 0.836E-03
DAV: 17 -0.912181795725E+02 -0.63291E-03 -0.57078E-05 616 0.312E-02 0.999E-03
DAV: 18 -0.912184302425E+02 -0.25067E-03 -0.25995E-05 560 0.254E-02 0.516E-03
DAV: 19 -0.912185009606E+02 -0.70718E-04 -0.12360E-05 480 0.181E-02 0.457E-03
DAV: 20 -0.912185095582E+02 -0.85976E-05 -0.23671E-06 520 0.111E-02
1 F= -.91218510E+02 E0= -.91222932E+02 d E =0.132667E-01