Yes, with distortions the symmetry gets lower and you may get different
multiplicity.
I can see at least ONE rule that you violated:
Used identical RMTs within such calculations. You cannot change RMTs
from one to the next structure, since your energies become non-comparable.
Your Al-RMT sho
Dear wien2k community
I wanted to get the elastic constants of a cubic structure using elastic module
in wien2k. I completed the calculation I am getting unacceptable values as below
in GPa:
c11= -36037.828466 c12=18133.340459 c44= 54.083125
I used the optimized correct structure
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