[Wien] reg. mini

[Santhy Jaiker]

Dear Marks and wien2k users,
   
  To minimizing atomic position and lattice constants, shall i do the SCF calculation with varying volume  and c/a ratio, to find the minimum energy structure.  Then, do the mini calculation for that particular structure instead of doing mini calculation for all the structure.  is it correct?
   
  Thanks in advance,
   



Regards,

Santhy Jaiker
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