./neb0_image02_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 0.365893298908E+03 0.36589E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.110935207926E+01 -0.36478E+03 -0.35293E+03 869 0.196E+02
DAV: 3 -0.957443969449E+02 -0.96854E+02 -0.96525E+02 648 0.115E+02
DAV: 4 -0.100288183564E+03 -0.45438E+01 -0.45325E+01 704 0.288E+01
DAV: 5 -0.100377568171E+03 -0.89385E-01 -0.89347E-01 720 0.364E+00 0.223E+01
DAV: 6 -0.916836757429E+02 0.86939E+01 -0.30896E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908506270558E+02 0.83305E+00 -0.18117E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904711108286E+02 0.37952E+00 -0.55268E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903891399039E+02 0.81971E-01 -0.13261E-01 720 0.170E+00 0.425E-01
DAV: 10 -0.903854895794E+02 0.36503E-02 -0.48077E-02 712 0.124E+00 0.329E-01
DAV: 11 -0.903896929575E+02 -0.42034E-02 -0.94496E-03 621 0.665E-01 0.112E-01
DAV: 12 -0.903923770660E+02 -0.26841E-02 -0.54966E-03 632 0.369E-01 0.127E-01
DAV: 13 -0.903950598172E+02 -0.26828E-02 -0.17254E-03 853 0.315E-01 0.811E-02
DAV: 14 -0.903981703514E+02 -0.31105E-02 -0.13676E-03 639 0.188E-01 0.734E-02
DAV: 15 -0.903996255373E+02 -0.14552E-02 -0.27559E-04 800 0.116E-01 0.451E-02
DAV: 16 -0.904009949761E+02 -0.13694E-02 -0.79201E-04 664 0.168E-01 0.352E-02
DAV: 17 -0.904015906563E+02 -0.59568E-03 -0.10644E-04 736 0.708E-02 0.274E-02
DAV: 18 -0.904017677666E+02 -0.17711E-03 -0.33898E-05 592 0.326E-02 0.164E-02
DAV: 19 -0.904020721827E+02 -0.30442E-03 -0.80027E-05 627 0.471E-02 0.701E-03
DAV: 20 -0.904020996729E+02 -0.27490E-04 -0.92133E-06 512 0.207E-02 0.643E-03
DAV: 21 -0.904021413093E+02 -0.41636E-04 -0.12739E-05 409 0.216E-02 0.607E-03
DAV: 22 -0.904021629459E+02 -0.21637E-04 -0.44637E-06 477 0.159E-02 0.373E-03
DAV: 23 -0.904021658106E+02 -0.28647E-05 -0.47401E-06 536 0.119E-02
1 F= -.90402166E+02 E0= -.90408779E+02 d E =0.198390E-01