iterations/neb0_image02_iter227_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 0.366441829615E+03 0.36644E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.130564198045E+01 -0.36514E+03 -0.35414E+03 869 0.195E+02
DAV: 3 -0.956290321690E+02 -0.96935E+02 -0.96599E+02 640 0.116E+02
DAV: 4 -0.100237234814E+03 -0.46082E+01 -0.45971E+01 704 0.293E+01
DAV: 5 -0.100328724305E+03 -0.91489E-01 -0.91450E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916741938935E+02 0.86545E+01 -0.30969E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908558621196E+02 0.81833E+00 -0.18300E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904750746499E+02 0.38079E+00 -0.55448E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903892645039E+02 0.85810E-01 -0.13619E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903843021555E+02 0.49623E-02 -0.48694E-02 704 0.125E+00 0.328E-01
DAV: 11 -0.903881001927E+02 -0.37980E-02 -0.80772E-03 624 0.600E-01 0.118E-01
DAV: 12 -0.903910065668E+02 -0.29064E-02 -0.62753E-03 640 0.399E-01 0.132E-01
DAV: 13 -0.903936329797E+02 -0.26264E-02 -0.18330E-03 864 0.331E-01 0.814E-02
DAV: 14 -0.903968339388E+02 -0.32010E-02 -0.13208E-03 621 0.169E-01 0.689E-02
DAV: 15 -0.903986090680E+02 -0.17751E-02 -0.31497E-04 712 0.107E-01 0.502E-02
DAV: 16 -0.904000974717E+02 -0.14884E-02 -0.10146E-03 669 0.185E-01 0.412E-02
DAV: 17 -0.904007010407E+02 -0.60357E-03 -0.15144E-04 792 0.868E-02 0.255E-02
DAV: 18 -0.904009835738E+02 -0.28253E-03 -0.68769E-05 672 0.401E-02 0.109E-02
DAV: 19 -0.904011803502E+02 -0.19678E-03 -0.46444E-05 649 0.349E-02 0.654E-03
DAV: 20 -0.904012114545E+02 -0.31104E-04 -0.44080E-06 504 0.143E-02 0.564E-03
DAV: 21 -0.904012678058E+02 -0.56351E-04 -0.11869E-05 414 0.181E-02 0.358E-03
DAV: 22 -0.904012745628E+02 -0.67570E-05 -0.39104E-06 504 0.120E-02
1 F= -.90401275E+02 E0= -.90407958E+02 d E =0.200489E-01