iterations/neb0_image02_iter93_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 0.365076420629E+03 0.36508E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.412678543894E+01 -0.36095E+03 -0.34625E+03 834 0.194E+02
DAV: 3 -0.955068573093E+02 -0.99634E+02 -0.99301E+02 669 0.116E+02
DAV: 4 -0.100182235171E+03 -0.46754E+01 -0.46645E+01 696 0.286E+01
DAV: 5 -0.100274775830E+03 -0.92541E-01 -0.92495E-01 728 0.360E+00 0.222E+01
DAV: 6 -0.916569684388E+02 0.86178E+01 -0.30945E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908367066319E+02 0.82026E+00 -0.18364E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904504861765E+02 0.38622E+00 -0.55545E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903598425582E+02 0.90644E-01 -0.13949E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903533864942E+02 0.64561E-02 -0.47538E-02 704 0.127E+00 0.322E-01
DAV: 11 -0.903571364112E+02 -0.37499E-02 -0.73854E-03 616 0.494E-01 0.143E-01
DAV: 12 -0.903605080347E+02 -0.33716E-02 -0.69941E-03 607 0.459E-01 0.130E-01
DAV: 13 -0.903632357599E+02 -0.27277E-02 -0.14431E-03 928 0.324E-01 0.787E-02
DAV: 14 -0.903663526567E+02 -0.31169E-02 -0.13749E-03 634 0.178E-01 0.572E-02
DAV: 15 -0.903686581314E+02 -0.23055E-02 -0.39512E-04 688 0.114E-01 0.428E-02
DAV: 16 -0.903700404367E+02 -0.13823E-02 -0.64206E-04 653 0.143E-01 0.328E-02
DAV: 17 -0.903709213672E+02 -0.88093E-03 -0.16857E-04 794 0.886E-02 0.194E-02
DAV: 18 -0.903710567451E+02 -0.13538E-03 -0.39503E-05 712 0.336E-02 0.105E-02
DAV: 19 -0.903712820948E+02 -0.22535E-03 -0.37591E-05 567 0.305E-02 0.382E-03
DAV: 20 -0.903713271042E+02 -0.45009E-04 -0.35564E-06 480 0.101E-02 0.430E-03
DAV: 21 -0.903713784594E+02 -0.51355E-04 -0.66102E-06 417 0.144E-02 0.299E-03
DAV: 22 -0.903713920530E+02 -0.13594E-04 -0.40761E-06 477 0.986E-03 0.260E-03
DAV: 23 -0.903713936419E+02 -0.15889E-05 -0.12389E-06 536 0.716E-03
1 F= -.90371394E+02 E0= -.90376911E+02 d E =0.165508E-01