iterations/neb0_image03_iter67_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 0.367727366411E+03 0.36773E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.391184679373E+01 -0.36382E+03 -0.35055E+03 845 0.195E+02
DAV: 3 -0.954657094228E+02 -0.99378E+02 -0.99049E+02 664 0.116E+02
DAV: 4 -0.100087791916E+03 -0.46221E+01 -0.46117E+01 712 0.290E+01
DAV: 5 -0.100176933565E+03 -0.89142E-01 -0.89103E-01 736 0.365E+00 0.223E+01
DAV: 6 -0.915925274095E+02 0.85844E+01 -0.30660E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.907420130262E+02 0.85051E+00 -0.18318E+00 712 0.640E+00 0.483E+00
DAV: 8 -0.903382876116E+02 0.40373E+00 -0.56989E-01 696 0.432E+00 0.165E+00
DAV: 9 -0.902437643531E+02 0.94523E-01 -0.14111E-01 704 0.172E+00 0.437E-01
DAV: 10 -0.902360769708E+02 0.76874E-02 -0.48441E-02 712 0.122E+00 0.336E-01
DAV: 11 -0.902395268490E+02 -0.34499E-02 -0.72375E-03 613 0.540E-01 0.121E-01
DAV: 12 -0.902425657539E+02 -0.30389E-02 -0.60100E-03 615 0.357E-01 0.131E-01
DAV: 13 -0.902463373630E+02 -0.37716E-02 -0.21831E-03 848 0.390E-01 0.870E-02
DAV: 14 -0.902493521937E+02 -0.30148E-02 -0.10912E-03 628 0.154E-01 0.660E-02
DAV: 15 -0.902517928999E+02 -0.24407E-02 -0.52998E-04 680 0.131E-01 0.343E-02
DAV: 16 -0.902536400029E+02 -0.18471E-02 -0.56240E-04 663 0.130E-01 0.344E-02
DAV: 17 -0.902543167076E+02 -0.67670E-03 -0.10463E-04 680 0.614E-02 0.209E-02
DAV: 18 -0.902546825841E+02 -0.36588E-03 -0.11853E-04 648 0.584E-02 0.881E-03
DAV: 19 -0.902547450230E+02 -0.62439E-04 -0.59995E-06 512 0.164E-02 0.700E-03
DAV: 20 -0.902548217257E+02 -0.76703E-04 -0.13111E-05 412 0.236E-02 0.353E-03
DAV: 21 -0.902548623545E+02 -0.40629E-04 -0.64694E-06 464 0.126E-02 0.268E-03
DAV: 22 -0.902548727490E+02 -0.10395E-04 -0.21619E-06 488 0.859E-03 0.159E-03
DAV: 23 -0.902548758083E+02 -0.30593E-05 -0.11020E-06 440 0.655E-03
1 F= -.90254876E+02 E0= -.90262916E+02 d E =0.241219E-01