[Wien] difference of min- energy point and zero -force point

[naser zare]

  Hello
  Dear all:
   I use from Wien2k 6.4. I want to obtain position of adsorption of  atom on a surface.I do it in two way :1)I move atom towards surface step by step and I plot total energy
  versus distance from surface and I obtain point of min energy  and 2)I relax position of atom by MINI, but these two point are not  the same.on the other hand ,point that obtained by Mini has not lowest energy. I want to know reason of this problem .thank you very much  for your attention.
    Best Regards.
  Nasser Zare Dehnavi



 
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