There are different things
The EFG of In is extremely sensitive to structure, k-mesh and
computational details. Unless you can use exactly the same details as in
this example, you may get different results.
On the other hand, the Ti-d density or difference density plot MUST look
like
Hi,
i am working with wien2k exercises (downloaded from wien2k websites) before
i proceed with my problem of interest (SrTiO3) to be comfirtable with flags
and options available in the code. I have observed the wien2k18.2 results
are not exactly same as mentioned in wien exercise ppt.
Recently i
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