Dear All, I am new to wien2k. I was trying to relax a rhombohedral compound CuCN. While relaxation i was motoring the forces using grep command :FHF and :FOR. I found that the total forces and Hellman forces are very different total forces ~-3.78 mRy/au however HF forces is ~378. mRy/au.
Please let me know wehere is the problem. -- *--with regard'sM. K. GuptaMUMBAI, INDIA*
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