[Q-e-developers] contributing to QE

[Matteo Cococcioni]

Dear all,

I would be happy to contribute some algorithms recently developed in
my group (and implemented in older versions of QE) to the Quantum
Espresso package. In particular, we have some extensions of the
(collinear) LDA+U
that could be implemented in the official version of QE:
1) LDA+U+V (J. Phys.: Condens. Matter 22 (2010) 055602)
2) LDA+U+J (PHYSICAL REVIEW B 84, 115108 (2011))
3) LDA+U implementation of DFPT (PHYSICAL REVIEW B 84, 161102(R) (2011)

Best regards,

Matteo



-- 
Matteo Cococcioni
Department of Chemical Engineering and Materials Science,
University of Minnesota
421 Washington Av. SE
Minneapolis, MN 55455
Tel. +1 612 624 9056    Fax +1 612 626 7246