./iterations/neb0_image08_iter220_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 0.373959627651E+03 0.37396E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.265658309539E+01 -0.37130E+03 -0.35960E+03 877 0.196E+02
DAV: 3 -0.966774724119E+02 -0.99334E+02 -0.99032E+02 653 0.116E+02
DAV: 4 -0.101251699718E+03 -0.45742E+01 -0.45621E+01 720 0.289E+01
DAV: 5 -0.101342271918E+03 -0.90572E-01 -0.90521E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926585297090E+02 0.86837E+01 -0.30943E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917917740741E+02 0.86676E+00 -0.17240E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914166302359E+02 0.37514E+00 -0.54604E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913371381518E+02 0.79492E-01 -0.13075E-01 728 0.154E+00 0.419E-01
DAV: 10 -0.913291845371E+02 0.79536E-02 -0.44321E-02 752 0.107E+00 0.300E-01
DAV: 11 -0.913340190581E+02 -0.48345E-02 -0.13235E-02 608 0.597E-01 0.145E-01
DAV: 12 -0.913369867681E+02 -0.29677E-02 -0.27409E-03 636 0.226E-01 0.111E-01
DAV: 13 -0.913407056381E+02 -0.37189E-02 -0.23980E-03 639 0.256E-01 0.524E-02
DAV: 14 -0.913439311448E+02 -0.32255E-02 -0.77882E-04 653 0.161E-01 0.258E-02
DAV: 15 -0.913451372182E+02 -0.12061E-02 -0.14078E-04 688 0.671E-02 0.203E-02
DAV: 16 -0.913462413133E+02 -0.11041E-02 -0.17793E-04 634 0.761E-02 0.131E-02
DAV: 17 -0.913466268295E+02 -0.38552E-03 -0.32426E-05 608 0.337E-02 0.121E-02
DAV: 18 -0.913468377014E+02 -0.21087E-03 -0.39536E-05 629 0.345E-02 0.558E-03
DAV: 19 -0.913469232140E+02 -0.85513E-04 -0.80904E-06 464 0.151E-02 0.255E-03
DAV: 20 -0.913469496799E+02 -0.26466E-04 -0.43931E-06 477 0.864E-03 0.174E-03
DAV: 21 -0.913469596451E+02 -0.99652E-05 -0.12141E-06 448 0.462E-03
1 F= -.91346960E+02 E0= -.91351953E+02 d E =0.149792E-01