[Pw_forum] LDA and U and OP

Bipul Rakshit bipulrr at gmail.com
Sat Aug 29 06:02:00 CEST 2009


Dear Pwscf users,
In the paper ° Inorg. Chem. year 2008, Vol 47, 6608
the author used GGA+U and GGA+OP (OP=orbital polarisation)
So just want to ask, whether GGA+OP is implemented in espresso or what one
can do to implement it?
Give me some reference if possible.
regards

-- 
Dr. Bipul Rakshit
Research Associate,
S N Bose Centre for Basic Sciences,
Salt Lake,
Kolkata 700 098
India
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