[Pw_forum] DFPT+U

[Andrea Floris]

Dear Ali,

The DFPT+U has been recently implemented, and I am doing some
calculations on test materials, to see
how it performs. It will be public in the future, both in
norm-conserving and ultrasoft pseudopotentials.

Regards,

Andrea


> which version of espresso can do DFPT+U calculation?

some version in the future, I guess

P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy

-- 
 Dr Andrea Floris
 Research Associate
 King's College London
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 United Kingdom
 Phone: +44 (0) 207 848 2064
 Fax    : +44 (0) 207 848 2420
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 Emails: andrea.floris at kcl.ac.uk, an.floris at gmail.com
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