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- From: <rndgiro@ig.com.br>
- To: forum@abinit.org
- Subject: [abinit-forum] BigDFT with Abinit
- Date: Thu, 25 Mar 2010 21:25:03 +0100 (CET)
I am trying to use BigDFT with Abinit and I have some doubts:
1) I do not need any convergence study, like for wvl_hgrid wich is the
similar
as ecut in psp-normconserv.? I just need convergence study for k points if my
system is not a "molecule in a big box" ?
2) There is some gain in CPU time and hardware resources like memory if I use
BigDFT instead of plane wave formalism to deal with systems containing many
atoms and a vacuum layer?
Thanks in advance,
Ronaldo Giro
- [abinit-forum] BigDFT with Abinit, rndgiro, 03/25/2010
- <Possible follow-up(s)>
- [abinit-forum] BigDFT with Abinit, rndgiro, 03/25/2010
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