iterations/neb0_image01_iter15_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 0.365431623698E+03 0.36543E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.253663797805E+01 -0.36289E+03 -0.35100E+03 847 0.195E+02
DAV: 3 -0.956964809234E+02 -0.98233E+02 -0.97909E+02 669 0.116E+02
DAV: 4 -0.100117829374E+03 -0.44213E+01 -0.44100E+01 704 0.281E+01
DAV: 5 -0.100204659200E+03 -0.86830E-01 -0.86783E-01 736 0.352E+00 0.221E+01
DAV: 6 -0.915035486580E+02 0.87011E+01 -0.31496E+01 704 0.300E+01 0.116E+01
DAV: 7 -0.907074851640E+02 0.79606E+00 -0.18296E+00 712 0.631E+00 0.483E+00
DAV: 8 -0.903289030940E+02 0.37858E+00 -0.55034E-01 712 0.427E+00 0.171E+00
DAV: 9 -0.902414186937E+02 0.87484E-01 -0.13922E-01 728 0.165E+00 0.429E-01
DAV: 10 -0.902359105395E+02 0.55082E-02 -0.45347E-02 720 0.121E+00 0.315E-01
DAV: 11 -0.902400730697E+02 -0.41625E-02 -0.68444E-03 616 0.511E-01 0.127E-01
DAV: 12 -0.902436041493E+02 -0.35311E-02 -0.66633E-03 624 0.438E-01 0.134E-01
DAV: 13 -0.902460400785E+02 -0.24359E-02 -0.18996E-03 848 0.349E-01 0.726E-02
DAV: 14 -0.902490850224E+02 -0.30449E-02 -0.12820E-03 626 0.165E-01 0.609E-02
DAV: 15 -0.902509543212E+02 -0.18693E-02 -0.26360E-04 688 0.952E-02 0.440E-02
DAV: 16 -0.902524387342E+02 -0.14844E-02 -0.84458E-04 653 0.171E-01 0.388E-02
DAV: 17 -0.902530858030E+02 -0.64707E-03 -0.13509E-04 797 0.867E-02 0.229E-02
DAV: 18 -0.902533843897E+02 -0.29859E-03 -0.85642E-05 656 0.455E-02 0.803E-03
DAV: 19 -0.902535243948E+02 -0.14001E-03 -0.22273E-05 517 0.250E-02 0.553E-03
DAV: 20 -0.902535682633E+02 -0.43868E-04 -0.55860E-06 472 0.127E-02 0.608E-03
DAV: 21 -0.902536173464E+02 -0.49083E-04 -0.91394E-06 409 0.186E-02 0.279E-03
DAV: 22 -0.902536229729E+02 -0.56265E-05 -0.77701E-06 488 0.154E-02
1 F= -.90253623E+02 E0= -.90258895E+02 d E =0.158166E-01