./iterations/neb0_image08_iter244_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 0.374765320453E+03 0.37477E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.377844511244E+01 -0.37099E+03 -0.35853E+03 869 0.196E+02
DAV: 3 -0.968287706502E+02 -0.10061E+03 -0.10029E+03 672 0.117E+02
DAV: 4 -0.101327621709E+03 -0.44989E+01 -0.44864E+01 720 0.284E+01
DAV: 5 -0.101414177485E+03 -0.86556E-01 -0.86507E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926785037522E+02 0.87357E+01 -0.30968E+01 725 0.300E+01 0.120E+01
DAV: 7 -0.917920632391E+02 0.88644E+00 -0.17386E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914136719827E+02 0.37839E+00 -0.54389E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913341012022E+02 0.79571E-01 -0.13466E-01 728 0.156E+00 0.421E-01
DAV: 10 -0.913263467173E+02 0.77545E-02 -0.47045E-02 736 0.113E+00 0.310E-01
DAV: 11 -0.913313422776E+02 -0.49956E-02 -0.16398E-02 616 0.666E-01 0.164E-01
DAV: 12 -0.913340963318E+02 -0.27541E-02 -0.30831E-03 631 0.238E-01 0.117E-01
DAV: 13 -0.913378284983E+02 -0.37322E-02 -0.32211E-03 645 0.299E-01 0.635E-02
DAV: 14 -0.913409209053E+02 -0.30924E-02 -0.10516E-03 653 0.182E-01 0.280E-02
DAV: 15 -0.913423606692E+02 -0.14398E-02 -0.18130E-04 672 0.716E-02 0.157E-02
DAV: 16 -0.913434482958E+02 -0.10876E-02 -0.13238E-04 647 0.585E-02 0.979E-03
DAV: 17 -0.913438043915E+02 -0.35610E-03 -0.29754E-05 600 0.248E-02 0.882E-03
DAV: 18 -0.913439648998E+02 -0.16051E-03 -0.20344E-05 509 0.277E-02 0.356E-03
DAV: 19 -0.913440414522E+02 -0.76552E-04 -0.94242E-06 453 0.127E-02 0.348E-03
DAV: 20 -0.913440572370E+02 -0.15785E-04 -0.23066E-06 512 0.843E-03 0.152E-03
DAV: 21 -0.913440718876E+02 -0.14651E-04 -0.37436E-06 406 0.109E-02 0.252E-03
DAV: 22 -0.913440725383E+02 -0.65070E-06 -0.72697E-07 512 0.494E-03
1 F= -.91344073E+02 E0= -.91349194E+02 d E =0.153641E-01