forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- 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
- Re: [abinit-forum] all electron, mmikami, 10/21/2003
- RE: [abinit-forum] all electron, Miguel Angel Salvado Sanchez, 10/22/2003
- Re: [abinit-forum] all electron, Xavier Gonze, 10/22/2003
- RE: [abinit-forum] all electron, Miguel Angel Salvado Sanchez, 10/22/2003
- RE: [abinit-forum] all electron, Steven Homolya, 10/22/2003
- RE: [abinit-forum] all electron, Miguel Angel Salvado Sanchez, 10/22/2003
- Re: [abinit-forum] all electron, Xavier Gonze, 10/22/2003
- RE: [abinit-forum] all electron, Miguel Angel Salvado Sanchez, 10/22/2003
Archive powered by MHonArc 2.6.16.