./iterations/neb0_image03_iter152_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 0.364442470352E+03 0.36444E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.455082598401E+00 -0.36399E+03 -0.35364E+03 869 0.195E+02
DAV: 3 -0.960337071623E+02 -0.96489E+02 -0.96184E+02 680 0.115E+02
DAV: 4 -0.100157863388E+03 -0.41242E+01 -0.41145E+01 696 0.271E+01
DAV: 5 -0.100239134865E+03 -0.81271E-01 -0.81234E-01 736 0.342E+00 0.222E+01
DAV: 6 -0.916785611994E+02 0.85606E+01 -0.30666E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.908413564698E+02 0.83720E+00 -0.17973E+00 704 0.637E+00 0.482E+00
DAV: 8 -0.904431916437E+02 0.39816E+00 -0.56445E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903484279715E+02 0.94764E-01 -0.11934E-01 712 0.190E+00 0.457E-01
DAV: 10 -0.903399069306E+02 0.85210E-02 -0.40160E-02 712 0.987E-01 0.346E-01
DAV: 11 -0.903420766039E+02 -0.21697E-02 -0.88767E-03 741 0.723E-01 0.170E-01
DAV: 12 -0.903440772542E+02 -0.20007E-02 -0.48295E-03 632 0.403E-01 0.125E-01
DAV: 13 -0.903488850730E+02 -0.48078E-02 -0.41814E-03 681 0.355E-01 0.943E-02
DAV: 14 -0.903538125017E+02 -0.49274E-02 -0.11356E-03 666 0.187E-01 0.518E-02
DAV: 15 -0.903551987422E+02 -0.13862E-02 -0.35188E-04 704 0.102E-01 0.240E-02
DAV: 16 -0.903570543864E+02 -0.18556E-02 -0.17198E-04 644 0.643E-02 0.125E-02
DAV: 17 -0.903580403840E+02 -0.98600E-03 -0.95060E-05 650 0.384E-02 0.795E-03
DAV: 18 -0.903583814440E+02 -0.34106E-03 -0.38703E-05 616 0.243E-02 0.532E-03
DAV: 19 -0.903584825013E+02 -0.10106E-03 -0.68725E-06 482 0.188E-02 0.230E-03
DAV: 20 -0.903585484475E+02 -0.65946E-04 -0.10055E-05 445 0.117E-02 0.289E-03
DAV: 21 -0.903585605393E+02 -0.12092E-04 -0.22154E-06 520 0.116E-02 0.112E-03
DAV: 22 -0.903585750151E+02 -0.14476E-04 -0.36490E-06 423 0.894E-03 0.240E-03
DAV: 23 -0.903585756219E+02 -0.60680E-06 -0.61649E-07 520 0.531E-03
1 F= -.90358576E+02 E0= -.90367459E+02 d E =0.266498E-01