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 ?Strand, London WC2R 2LS ?United Kingdom ?Phone: +44 (0) 207 848 2064 ?Fax? ? : +44 (0) 207 848 2420 ?Room: 7.33 Strand Building ?Emails: andrea.floris at kcl.ac.uk, an.floris at gmail.com ?Internet: http://www.kcl.ac.uk/schools/pse/physics/people/research/floris/
