Dear Prof Peter Blaha,
If possible, I would like to discuss another question regarding
MT-potentials. I am currently trying to work with them using .vsp and
.vtotal files. From general considerations it seems obvious that the
dependence V(r)*r in the hartree/bohr axes should take the Z value f
Thank you so much for your help.
Best regards,
Artem Tarasov
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Dear Prof Peter Blaha,
thank you for your feedback. I'm sorry for such a vague question.
Nevertheless, you have given me the answer I need.
I was looking for the sperically averaged density as function of
distance from the nucleus and now I see that the .clmsum file is
exactly it.
If possib
Dear wien2k users,
I am looking for a way to extract atomic potential or electron density
within a specific MT sphere. Have you ever faced a similar task? How
could this be done?
Best regards,
Artem Tarasov
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