iterations/neb0_image01_iter100_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 0.366571810903E+03 0.36657E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.342391711437E+01 -0.36315E+03 -0.34980E+03 839 0.195E+02
DAV: 3 -0.957405602389E+02 -0.99164E+02 -0.98823E+02 680 0.116E+02
DAV: 4 -0.100206684324E+03 -0.44661E+01 -0.44570E+01 677 0.283E+01
DAV: 5 -0.100295149330E+03 -0.88465E-01 -0.88410E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916748690614E+02 0.86203E+01 -0.31185E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908668101266E+02 0.80806E+00 -0.18216E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904875576966E+02 0.37925E+00 -0.55290E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.904024706905E+02 0.85087E-01 -0.13572E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903971844833E+02 0.52862E-02 -0.46191E-02 720 0.124E+00 0.317E-01
DAV: 11 -0.904011538167E+02 -0.39693E-02 -0.70245E-03 608 0.496E-01 0.135E-01
DAV: 12 -0.904046905281E+02 -0.35367E-02 -0.67963E-03 629 0.468E-01 0.128E-01
DAV: 13 -0.904072932844E+02 -0.26028E-02 -0.14651E-03 856 0.313E-01 0.758E-02
DAV: 14 -0.904103059325E+02 -0.30126E-02 -0.14267E-03 634 0.181E-01 0.606E-02
DAV: 15 -0.904122903818E+02 -0.19844E-02 -0.37318E-04 688 0.120E-01 0.467E-02
DAV: 16 -0.904136453583E+02 -0.13550E-02 -0.85269E-04 653 0.171E-01 0.380E-02
DAV: 17 -0.904144700861E+02 -0.82473E-03 -0.18564E-04 829 0.963E-02 0.233E-02
DAV: 18 -0.904146020978E+02 -0.13201E-03 -0.42235E-05 704 0.332E-02 0.150E-02
DAV: 19 -0.904148667342E+02 -0.26464E-03 -0.65344E-05 633 0.420E-02 0.616E-03
DAV: 20 -0.904148966700E+02 -0.29936E-04 -0.63789E-06 480 0.165E-02 0.594E-03
DAV: 21 -0.904149315623E+02 -0.34892E-04 -0.81799E-06 439 0.183E-02 0.548E-03
DAV: 22 -0.904149566619E+02 -0.25100E-04 -0.42655E-06 458 0.115E-02 0.403E-03
DAV: 23 -0.904149593587E+02 -0.26968E-05 -0.37202E-06 528 0.110E-02
1 F= -.90414959E+02 E0= -.90420056E+02 d E =0.152914E-01