17 Feb #Justpublished “Pulay forces in density-functional theory with extended Hubbard functionals”
A new paper about “Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifoldsx“, by our intersecters I. Timrov, F. Aquilante, L. Binci, M. Cococcioni, and N. Marzari, has been published on Physical Review B, Vol 102, Issue 23 (December 2020). Abstract: We...