Skip to Content.
Sympa Menu

forum - [abinit-forum] BigDFT with Abinit

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] BigDFT with Abinit


Chronological Thread 
  • 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



Archive powered by MHonArc 2.6.16.

Top of Page