[Pw_forum] gga+u CALCULATION

Kajal Jindal kajalmh18 at gmail.com
Tue Jan 17 05:59:36 CET 2017


Dear all,

I want to perform GGA+U calculation on quantum espresso. The input_PW.html
file shows that for DFT+U calculations i have to set lda_plus_U=.true. But
nothing is given about GGA+U.

KIndly help.
What are the parameters i need to introduce for GGA+U calculation?

Thanking You,
Kajal Jindal
University of Delhi
Delhi, INDIA
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