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ABINIT vs. VASP


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  • From: spamrefuse@yahoo.com
  • To: forum@abinit.org
  • Subject: ABINIT vs. VASP
  • Date: Thu, 11 May 2006 19:14:15 +0200


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.



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