iterations/neb0_image03_iter207_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 0.363118065163E+03 0.36312E+03 -0.14321E+04 632 0.799E+02
DAV: 2 -0.213695875232E+00 -0.36333E+03 -0.35357E+03 858 0.195E+02
DAV: 3 -0.960262614478E+02 -0.95813E+02 -0.95499E+02 672 0.115E+02
DAV: 4 -0.100230734756E+03 -0.42045E+01 -0.41934E+01 712 0.273E+01
DAV: 5 -0.100314207648E+03 -0.83473E-01 -0.83441E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917174305403E+02 0.85968E+01 -0.30973E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908805357947E+02 0.83689E+00 -0.17999E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904858800607E+02 0.39466E+00 -0.56940E-01 704 0.434E+00 0.169E+00
DAV: 9 -0.903912853440E+02 0.94595E-01 -0.13171E-01 704 0.171E+00 0.437E-01
DAV: 10 -0.903836601990E+02 0.76251E-02 -0.50829E-02 720 0.124E+00 0.343E-01
DAV: 11 -0.903879875196E+02 -0.43273E-02 -0.96166E-03 656 0.648E-01 0.122E-01
DAV: 12 -0.903910008724E+02 -0.30134E-02 -0.50639E-03 624 0.325E-01 0.125E-01
DAV: 13 -0.903948916063E+02 -0.38907E-02 -0.18729E-03 901 0.341E-01 0.834E-02
DAV: 14 -0.903981377698E+02 -0.32462E-02 -0.12439E-03 658 0.173E-01 0.615E-02
DAV: 15 -0.904002329961E+02 -0.20952E-02 -0.31208E-04 656 0.985E-02 0.289E-02
DAV: 16 -0.904019382518E+02 -0.17053E-02 -0.40022E-04 661 0.106E-01 0.270E-02
DAV: 17 -0.904026216535E+02 -0.68340E-03 -0.10907E-04 816 0.717E-02 0.128E-02
DAV: 18 -0.904030316632E+02 -0.41001E-03 -0.89686E-05 648 0.512E-02 0.119E-02
DAV: 19 -0.904031490992E+02 -0.11744E-03 -0.10225E-05 488 0.224E-02 0.742E-03
DAV: 20 -0.904032313580E+02 -0.82259E-04 -0.35589E-05 565 0.336E-02 0.643E-03
DAV: 21 -0.904032693036E+02 -0.37946E-04 -0.51182E-06 480 0.185E-02 0.299E-03
DAV: 22 -0.904032847196E+02 -0.15416E-04 -0.74080E-06 456 0.148E-02 0.230E-03
DAV: 23 -0.904032886039E+02 -0.38844E-05 -0.10470E-06 488 0.608E-03
1 F= -.90403289E+02 E0= -.90409947E+02 d E =0.199744E-01