./iterations/neb0_image04_iter44_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 0.372150040724E+03 0.37215E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.456138284730E+01 -0.36759E+03 -0.35561E+03 869 0.195E+02
DAV: 3 -0.949401944121E+02 -0.99502E+02 -0.99151E+02 653 0.116E+02
DAV: 4 -0.996174993526E+02 -0.46773E+01 -0.46588E+01 720 0.293E+01
DAV: 5 -0.997098092963E+02 -0.92310E-01 -0.92270E-01 736 0.372E+00 0.224E+01
DAV: 6 -0.911371246477E+02 0.85727E+01 -0.30142E+01 687 0.297E+01 0.117E+01
DAV: 7 -0.902731644079E+02 0.86396E+00 -0.17606E+00 704 0.634E+00 0.485E+00
DAV: 8 -0.898690096359E+02 0.40415E+00 -0.57577E-01 704 0.437E+00 0.169E+00
DAV: 9 -0.897777522411E+02 0.91257E-01 -0.13030E-01 712 0.201E+00 0.518E-01
DAV: 10 -0.897673794967E+02 0.10373E-01 -0.25549E-02 736 0.820E-01 0.344E-01
DAV: 11 -0.897665032065E+02 0.87629E-03 -0.11953E-02 672 0.639E-01 0.192E-01
DAV: 12 -0.897688011420E+02 -0.22979E-02 -0.32061E-03 608 0.345E-01 0.137E-01
DAV: 13 -0.897727583275E+02 -0.39572E-02 -0.34400E-03 636 0.409E-01 0.851E-02
DAV: 14 -0.897768276228E+02 -0.40693E-02 -0.13730E-03 656 0.235E-01 0.680E-02
DAV: 15 -0.897792732926E+02 -0.24457E-02 -0.43270E-04 732 0.140E-01 0.337E-02
DAV: 16 -0.897814148216E+02 -0.21415E-02 -0.31917E-04 666 0.875E-02 0.282E-02
DAV: 17 -0.897824505607E+02 -0.10357E-02 -0.14097E-04 773 0.950E-02 0.141E-02
DAV: 18 -0.897830897758E+02 -0.63922E-03 -0.10445E-04 666 0.648E-02 0.125E-02
DAV: 19 -0.897833135940E+02 -0.22382E-03 -0.35565E-05 605 0.360E-02 0.858E-03
DAV: 20 -0.897833998460E+02 -0.86252E-04 -0.11193E-05 453 0.247E-02 0.485E-03
DAV: 21 -0.897834710508E+02 -0.71205E-04 -0.18711E-05 481 0.242E-02 0.503E-03
DAV: 22 -0.897834795474E+02 -0.84966E-05 -0.28880E-06 517 0.145E-02
1 F= -.89783480E+02 E0= -.89793324E+02 d E =0.295332E-01