Dear Alexander
Oleksandr Voznyy wrote:
What part of the pseudopotential is used as Vlocal in SIESTA? Is it
the one with largest l? and can one control which l to use as local
part or to provide other way to generate Vlocal?
Is that PS.lmax and PS.KBprojectors that controls what l to use as
Vlocal? - the description is not very clear in manual.
The description is clear in
The Siesta method for ab initio order-N materials simulation
<http://stacks.iop.org/0953-8984/14/2745>
José M. Soler, Emilio Artacho, Julian D. Gale, Alberto García, Javier
Junquera, Pablo Ordejón and Daniel Sánchez-Portal
J. Phys.: Condens. Matter *14*, 2745-2779 (2002)
arXiv:cond-mat/0111138 <http://es.arxiv.org/abs/cond-mat/0111138>, 8 Nov
2001.
Emilio
--
Emilio Artacho
Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
[EMAIL PROTECTED], http://www.esc.cam.ac.uk/~emilio
