iterations/neb0_image03_iter213_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 0.363392248274E+03 0.36339E+03 -0.14323E+04 632 0.799E+02
DAV: 2 -0.191349581743E+00 -0.36358E+03 -0.35384E+03 858 0.195E+02
DAV: 3 -0.960608714048E+02 -0.95870E+02 -0.95556E+02 672 0.115E+02
DAV: 4 -0.100259893013E+03 -0.41990E+01 -0.41880E+01 712 0.273E+01
DAV: 5 -0.100342891401E+03 -0.82998E-01 -0.82967E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917235387826E+02 0.86194E+01 -0.31029E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908823289454E+02 0.84121E+00 -0.18016E+00 712 0.636E+00 0.485E+00
DAV: 8 -0.904862939682E+02 0.39603E+00 -0.56991E-01 696 0.434E+00 0.169E+00
DAV: 9 -0.903920970729E+02 0.94197E-01 -0.13456E-01 704 0.168E+00 0.439E-01
DAV: 10 -0.903844240664E+02 0.76730E-02 -0.54555E-02 720 0.135E+00 0.349E-01
DAV: 11 -0.903882244200E+02 -0.38004E-02 -0.85767E-03 624 0.591E-01 0.137E-01
DAV: 12 -0.903921725385E+02 -0.39481E-02 -0.82549E-03 618 0.440E-01 0.148E-01
DAV: 13 -0.903951285281E+02 -0.29560E-02 -0.21304E-03 885 0.382E-01 0.888E-02
DAV: 14 -0.903985883750E+02 -0.34598E-02 -0.16836E-03 642 0.212E-01 0.708E-02
DAV: 15 -0.904008405029E+02 -0.22521E-02 -0.32490E-04 664 0.884E-02 0.537E-02
DAV: 16 -0.904023472437E+02 -0.15067E-02 -0.72743E-04 656 0.162E-01 0.256E-02
DAV: 17 -0.904031749686E+02 -0.82772E-03 -0.99227E-05 672 0.549E-02 0.280E-02
DAV: 18 -0.904037165321E+02 -0.54156E-03 -0.15077E-04 639 0.715E-02 0.978E-03
DAV: 19 -0.904038177511E+02 -0.10122E-03 -0.35350E-05 704 0.328E-02 0.968E-03
DAV: 20 -0.904038695308E+02 -0.51780E-04 -0.57638E-06 440 0.147E-02 0.640E-03
DAV: 21 -0.904039388518E+02 -0.69321E-04 -0.28906E-05 565 0.315E-02 0.596E-03
DAV: 22 -0.904039455859E+02 -0.67341E-05 -0.30520E-06 504 0.158E-02
1 F= -.90403946E+02 E0= -.90409918E+02 d E =0.179171E-01