iterations/neb0_image08_iter45_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 0.375370758052E+03 0.37537E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.371599751458E+01 -0.37165E+03 -0.35795E+03 869 0.196E+02
DAV: 3 -0.966608614858E+02 -0.10038E+03 -0.10004E+03 680 0.117E+02
DAV: 4 -0.101065891482E+03 -0.44050E+01 -0.43949E+01 696 0.280E+01
DAV: 5 -0.101152039570E+03 -0.86148E-01 -0.86110E-01 728 0.353E+00 0.226E+01
DAV: 6 -0.925405832030E+02 0.86115E+01 -0.30764E+01 693 0.303E+01 0.119E+01
DAV: 7 -0.916696398624E+02 0.87094E+00 -0.16740E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.912891972213E+02 0.38044E+00 -0.56398E-01 696 0.405E+00 0.163E+00
DAV: 9 -0.912047785820E+02 0.84419E-01 -0.12790E-01 704 0.154E+00 0.431E-01
DAV: 10 -0.911950173967E+02 0.97612E-02 -0.46702E-02 720 0.110E+00 0.307E-01
DAV: 11 -0.912005241146E+02 -0.55067E-02 -0.16719E-02 608 0.668E-01 0.194E-01
DAV: 12 -0.912026457448E+02 -0.21216E-02 -0.27397E-03 647 0.239E-01 0.129E-01
DAV: 13 -0.912068907895E+02 -0.42450E-02 -0.35680E-03 645 0.315E-01 0.634E-02
DAV: 14 -0.912091381020E+02 -0.22473E-02 -0.52271E-04 672 0.147E-01 0.300E-02
DAV: 15 -0.912118531984E+02 -0.27151E-02 -0.34974E-04 625 0.775E-02 0.241E-02
DAV: 16 -0.912125865900E+02 -0.73339E-03 -0.59455E-05 688 0.454E-02 0.906E-03
DAV: 17 -0.912134570186E+02 -0.87043E-03 -0.12264E-04 625 0.487E-02 0.124E-02
DAV: 18 -0.912135517557E+02 -0.94737E-04 -0.64116E-06 520 0.228E-02 0.816E-03
DAV: 19 -0.912136778024E+02 -0.12605E-03 -0.47998E-05 592 0.375E-02 0.845E-03
DAV: 20 -0.912136823309E+02 -0.45286E-05 -0.32699E-06 528 0.171E-02
1 F= -.91213682E+02 E0= -.91219059E+02 d E =0.161306E-01