[Wien] Extraction of atomic sphere potential

Artem Tarasov artem.tarasov at spbu.ru
Fri Jun 16 23:34:32 CEST 2023


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 possible, please answer one more question, where can I find a 
radial mesh values for r^2 * C_00(r) specified in this file?


Best regards,
Artem Tarasov


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