activity
19962025
most citedThe SIESTA method for ab initio order-N materials simulation

12k citations · 36.9k across the 34 of their papers we have counts for

collaborators
Showing 2009Show all

1 paper · 1 filter

cond-mat.str-el2009★ 15 cited

Band selection and disentanglement using maximally-localized Wannier functions: the cases of Co impurities in bulk copper and the Cu (111) surface

Richard Korytár, Miguel Pruneda, Javier Junquera +2

We have adapted the maximally-localized Wannier function approach of [I. Souza, N. Marzari and D. Vanderbilt, Phys. Rev. B 65, 035109 (2002)] to the density functional theory based…