[Pw_forum] hi, everybody, can anybody explain me what the problem it is here?

[Lorenzo Paulatto]

On Mon, June 15, 2009 20:02, $BJ8D@(B wrote:
>       pseudopotential not yet inserted

An appropriate value of U (of LDA+U) has only been inserted for an handful
of well-tested elements. If you need to study some other elemens you can
either:
1) write to this mailing list and hope someone will give you a good value
(I cannot, but someone could)
2) look in literature for previous studies of that material
3) in Matteo Cococcioni's thesis there should be a detailed explanation on
how to find a proper value for U (you can find it here:
http://www.sissa.it/cm/phd.php)

best regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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