iterations/neb0_image04_iter106_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 0.370154103757E+03 0.37015E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.392367518170E+01 -0.36623E+03 -0.35428E+03 858 0.195E+02
DAV: 3 -0.953272098337E+02 -0.99251E+02 -0.98931E+02 672 0.116E+02
DAV: 4 -0.998397829330E+02 -0.45126E+01 -0.45019E+01 704 0.285E+01
DAV: 5 -0.999280421253E+02 -0.88259E-01 -0.88219E-01 720 0.360E+00 0.222E+01
DAV: 6 -0.914245396012E+02 0.85035E+01 -0.29908E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905678772813E+02 0.85666E+00 -0.17321E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.901691441799E+02 0.39873E+00 -0.55988E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.900745652691E+02 0.94579E-01 -0.13170E-01 720 0.179E+00 0.442E-01
DAV: 10 -0.900647274848E+02 0.98378E-02 -0.61044E-02 701 0.145E+00 0.360E-01
DAV: 11 -0.900686906270E+02 -0.39631E-02 -0.15657E-02 624 0.754E-01 0.146E-01
DAV: 12 -0.900703798190E+02 -0.16892E-02 -0.57687E-03 628 0.348E-01 0.149E-01
DAV: 13 -0.900733521211E+02 -0.29723E-02 -0.24836E-03 837 0.394E-01 0.792E-02
DAV: 14 -0.900776121344E+02 -0.42600E-02 -0.16793E-03 655 0.218E-01 0.727E-02
DAV: 15 -0.900796272501E+02 -0.20151E-02 -0.27319E-04 760 0.109E-01 0.477E-02
DAV: 16 -0.900816243363E+02 -0.19971E-02 -0.91430E-04 663 0.176E-01 0.373E-02
DAV: 17 -0.900825077401E+02 -0.88340E-03 -0.22055E-04 864 0.107E-01 0.153E-02
DAV: 18 -0.900829604702E+02 -0.45273E-03 -0.81097E-05 633 0.397E-02 0.104E-02
DAV: 19 -0.900831161254E+02 -0.15566E-03 -0.15866E-05 504 0.204E-02 0.401E-03
DAV: 20 -0.900832066797E+02 -0.90554E-04 -0.19576E-05 470 0.212E-02 0.435E-03
DAV: 21 -0.900832215622E+02 -0.14882E-04 -0.22035E-06 504 0.845E-03 0.330E-03
DAV: 22 -0.900832297253E+02 -0.81631E-05 -0.24056E-06 409 0.101E-02
1 F= -.90083230E+02 E0= -.90087307E+02 d E =0.122306E-01