[Wien] Wien Digest, Vol 107, Issue 6

[Víctor Luaña Cabal]

On Wed, Oct 22, 2014 at 02:31:15PM +0200, Salman Zarrini wrote:
> +++++++++++++++++++++++++++++++++++++++++++++
> Dear Victor,
>
> Thank you for your answer, I know the concepts one by one (at least I  
> think I know), however, my question is still about their equalization,  
> for example, when we run an "Anti ferromagnetic" calculation in Wien2k  
> for a bulk system, which one of the "Closed shell", "open shell",  

I guess that you are a chemist (may I ask your main subject?) trying to follow
a road to solid state physics. Wellcome to the road.

May be you will find useful the book by Roald Hoffmann that tries to introduce
chemists to solid state:

Roald Hoffmann,
Solid State Physics: An Introduction, 2nd ed
<http://eu.wiley.com/WileyCDA/WileyTitle/productCd-3527412824.html>

There is a book by Dronskowski devoted to computational methods:

Computational Chemistry of Solid State Materials: A Guide for Materials
Scientists, Chemists, Physicists and others
by Richard Dronskowski
<http://eu.wiley.com/WileyCDA/Section/id-WILEYEUROPE2_SEARCH_RESULT.html?query=Dronskowski>

Regards,
         Dr. Víctor Luaña

--
       \|/a  "After years of working on a problem the genius shout:
      |^.^|     what an idiot I am ... the solution is trivial!'
+-!OO--\_/--OO!------------------------------+-----------------------
!            Dr.Víctor Luaña                   !
! Departamento de Química Física y Analítica   !
! Universidad de Oviedo, 33006-Oviedo, Spain   !
! e-mail:   victor at fluor.quimica.uniovi.es     !
! phone: +34-985-103491  fax: +34-985-103125   !
+----------------------------------------------+
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