./iterations/neb0_image03_iter134_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 0.366295587601E+03 0.36630E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.208600625413E+01 -0.36421E+03 -0.35307E+03 861 0.195E+02
DAV: 3 -0.958927555418E+02 -0.97979E+02 -0.97668E+02 680 0.116E+02
DAV: 4 -0.100202127967E+03 -0.43094E+01 -0.42998E+01 696 0.275E+01
DAV: 5 -0.100288081763E+03 -0.85954E-01 -0.85917E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.916980648830E+02 0.85900E+01 -0.30710E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908521156592E+02 0.84595E+00 -0.18243E+00 712 0.644E+00 0.483E+00
DAV: 8 -0.904494279697E+02 0.40269E+00 -0.56983E-01 704 0.441E+00 0.169E+00
DAV: 9 -0.903546858487E+02 0.94742E-01 -0.12756E-01 704 0.195E+00 0.476E-01
DAV: 10 -0.903454515123E+02 0.92343E-02 -0.37666E-02 720 0.957E-01 0.347E-01
DAV: 11 -0.903475202406E+02 -0.20687E-02 -0.87755E-03 736 0.689E-01 0.186E-01
DAV: 12 -0.903493358963E+02 -0.18157E-02 -0.37345E-03 629 0.410E-01 0.121E-01
DAV: 13 -0.903537319067E+02 -0.43960E-02 -0.34936E-03 618 0.302E-01 0.874E-02
DAV: 14 -0.903585614980E+02 -0.48296E-02 -0.11455E-03 647 0.166E-01 0.529E-02
DAV: 15 -0.903603823960E+02 -0.18209E-02 -0.32308E-04 840 0.118E-01 0.240E-02
DAV: 16 -0.903620180745E+02 -0.16357E-02 -0.13546E-04 661 0.583E-02 0.156E-02
DAV: 17 -0.903631617841E+02 -0.11437E-02 -0.96479E-05 672 0.374E-02 0.867E-03
DAV: 18 -0.903636652353E+02 -0.50345E-03 -0.59396E-05 597 0.289E-02 0.542E-03
DAV: 19 -0.903637882752E+02 -0.12304E-03 -0.95703E-06 488 0.174E-02 0.278E-03
DAV: 20 -0.903638551015E+02 -0.66826E-04 -0.11143E-05 447 0.134E-02 0.312E-03
DAV: 21 -0.903638678844E+02 -0.12783E-04 -0.25639E-06 504 0.109E-02 0.182E-03
DAV: 22 -0.903638753612E+02 -0.74767E-05 -0.28539E-06 415 0.107E-02
1 F= -.90363875E+02 E0= -.90372560E+02 d E =0.260554E-01