iterations/neb0_image06_iter94_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 0.374947028674E+03 0.37495E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.356930596424E+01 -0.37138E+03 -0.35927E+03 877 0.195E+02
DAV: 3 -0.955917460047E+02 -0.99161E+02 -0.98837E+02 656 0.116E+02
DAV: 4 -0.100167783910E+03 -0.45760E+01 -0.45652E+01 696 0.289E+01
DAV: 5 -0.100262139815E+03 -0.94356E-01 -0.94313E-01 744 0.368E+00 0.226E+01
DAV: 6 -0.916551429151E+02 0.86070E+01 -0.30957E+01 698 0.306E+01 0.118E+01
DAV: 7 -0.908352648766E+02 0.81988E+00 -0.17196E+00 720 0.629E+00 0.481E+00
DAV: 8 -0.904557624482E+02 0.37950E+00 -0.52519E-01 712 0.404E+00 0.168E+00
DAV: 9 -0.903635640204E+02 0.92198E-01 -0.13240E-01 728 0.162E+00 0.420E-01
DAV: 10 -0.903536340641E+02 0.99300E-02 -0.45814E-02 720 0.110E+00 0.307E-01
DAV: 11 -0.903584071134E+02 -0.47730E-02 -0.13733E-02 621 0.645E-01 0.173E-01
DAV: 12 -0.903602376348E+02 -0.18305E-02 -0.23104E-03 658 0.248E-01 0.127E-01
DAV: 13 -0.903651214212E+02 -0.48838E-02 -0.40167E-03 657 0.406E-01 0.753E-02
DAV: 14 -0.903666258180E+02 -0.15044E-02 -0.54951E-04 728 0.149E-01 0.546E-02
DAV: 15 -0.903697273368E+02 -0.31015E-02 -0.91659E-04 660 0.177E-01 0.450E-02
DAV: 16 -0.903707562830E+02 -0.10289E-02 -0.23831E-04 701 0.803E-02 0.356E-02
DAV: 17 -0.903712772900E+02 -0.52101E-03 -0.11149E-04 720 0.676E-02 0.167E-02
DAV: 18 -0.903719510998E+02 -0.67381E-03 -0.13414E-04 644 0.600E-02 0.117E-02
DAV: 19 -0.903720851346E+02 -0.13403E-03 -0.12944E-05 501 0.223E-02 0.105E-02
DAV: 20 -0.903721637992E+02 -0.78665E-04 -0.16117E-05 468 0.220E-02 0.769E-03
DAV: 21 -0.903722135290E+02 -0.49730E-04 -0.52281E-06 458 0.138E-02 0.446E-03
DAV: 22 -0.903722361548E+02 -0.22626E-04 -0.13372E-05 430 0.234E-02 0.465E-03
DAV: 23 -0.903722391672E+02 -0.30124E-05 -0.25500E-06 512 0.996E-03
1 F= -.90372239E+02 E0= -.90377080E+02 d E =0.145219E-01