The ABINIT Users Mailing List ( CLOSED )

["Nichols A. Romero" <naromero@gmail.com>]

I you are dealing with very large unit cells and are computer
resources are at a premium. I will recommend SIESTA
http://www.uam.es/departamentos/ciencias/fismateriac/siesta/

Is not as straight forward to use as VASP? But it has a mailing list
like ABINIT and people who are willing to help.

Bests,
On 5/11/06, spamrefuse@yahoo.com <spamrefuse@yahoo.com> wrote:
> Hello,
>
> I have joined an academic group that is interested
> in simulating properties of carbon nanotubes. To
> that purpose, the 'boss' here has purchased VASP
> (the Vienna Abinitio Simulation Package).
>
> Meanwhile I myself have discovered ABINIT. Although
> I am supposed to work with VASP, as a fan of
> Opensource I would like to explore ABINIT as well.
>
> I'm still in an early stage of exploring, but to me
> it looks as if the two packages are quite similar.
> Is that so?
>
> Is it more than an coincidence that even the version
> numbering is the same (also VASP's latest stable
> release is 4.6 and 5.X is 'under construction').
>
> Apart from the finances (VASP is not free), could
> someone point out what are the key differences
> between the two packages?
>
> If there's a difference, which package is most
> suitable for simulating carbon nanotubes related
> topics?
>
> Thank you,
> Rob.


--
Nichols A. Romero, Ph.D.
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