Dear siesta developer:
Please forgive me for a dumb question since I just started using siesta.
I have difficulty understanding how basis is defined in siesta. For
example, in the manual, section 7.3
--
User.Basis
(logical)
Thanks a lot for the help.
On Mon, 22 Jan 2007, Oleksandr Voznyy wrote:
> > However, it seems that I have
> > difficulty finding a systematic way of optimization
>
> The general idea is described in the main SIESTA paper
>
> The Siesta method for ab initio order-N materials simulation
> José M
> However, it seems that I have
difficulty finding a systematic way of optimization
The general idea is described in the main SIESTA paper
The Siesta method for ab initio order-N materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale, Alberto García, Javier
Junquera, Pablo Ordejón
Dear siesta developer or collegues:
First, thanks for previous help.
I understand one of the best feature that SIESTA provides is the numerical
basis set that can be optimized by users. However, it seems that I have
difficulty finding a systematic way of optimization, or maybe I missed
this in
Dear Anglada:
Thanks a lot for the help. I think I begin to understand how it goes.
On Thu, 18 Jan 2007, Eduardo Anglada wrote:
> Dear You Lin,
>
> Siesta reads the pseudopotential in semilocal form and computes the
> non-local
> projectors (Kleiman-Bylander), so if you specify use.basis true
Dear You Lin,
Siesta reads the pseudopotential in semilocal form and computes the
non-local
projectors (Kleiman-Bylander), so if you specify use.basis true then
siesta reads
from the files all the information it needs.
If you have just started using siesta I recommend the standard
procedu
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