Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] all electron

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] all electron


Chronological Thread 
  • From: mmikami@rc.m-kagaku.co.jp
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] all electron
  • Date: Tue, 21 Oct 2003 17:38:13 +0900

Hello ...

Please read again the front page (& links there) and the FAQ carefully ....
(kindly see also again,
http://www.abinit.org/ABINIT/Infos/Presentation/presentation.pdf )
Then you might want to rethink of your question...

More specifically speaking ...
If you would want just total density of electrons (i.e. core & valence)
in your system, there will be a way.
Namley, if you might have a question like this:
http://www.abinit.org/wws/arc/forum/2003-09/msg00037.html
you might want to follow the follow:
http://www.abinit.org/wws/arc/forum/2003-09/msg00038.html

Otherwise, you might want to use all-electron methods (e.g. FLAPW, FLMTO) ...
If so, you might want to refer to "~ABINIT/Infos/other_code".

Good luck,
Masayoshi

On 2003.10.21, at 17:03 Asia/Tokyo, Miguel Angel Salvado Sanchez wrote:


Hello abinit users:

Is there a way to make all electron calculations using abinit?

Thanks in advance

Miguel


Miguel Angel Salvadó Sánchez
Dpto. Química Física y Analítica
Universidad de Oviedo
33006- Oviedo (Spain)
E-mail: mass@sauron.quimica.uniovi.es






Archive powered by MHonArc 2.6.16.

Top of Page