[Wien] Error while treating Sm 4f states as core

Anup Shakya npshakya31 at gmail.com
Sun Oct 20 20:28:23 CEST 2019


Dear Prof, Blaha,

Actually, I had rectified the above mistake just after posting the question
and performed the calculations using
3   -1.00   0.0000 CONT 1
but I got the same error. I have not increased the value from -1 but will
try to do so as per your suggestions.

Sincerely,
Anup Pradhan Sakhya
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