The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Yin Wanjain,

The questions below have been often asked before,
and the replies can be found by searching the forum ML archive
        http://www.abinit.org/wws/info/forum  (the entrance)
        http://www.abinit.org/wws/arc/forum   (the archive)
and/or ~ABINIT/Infos/* documents in the source archive.

Please peruse the Netiquete (if not yet) :
        http://www.abinit.org/community/?text=netiquette
It would be a good idea to find relevant documents to your questions
before asking here, by following the instructions in the Netiquette.

The rest may be left as an exercise for new subscribers. ;-)

Good luck,
Masayoshi

On 2005/05/09, at 21:39, wjyin@fudan.edu.cn wrote:

> Dear Masayoshi Mikami ,
>     Thanks for your helpful suggestion.
>
>     I have other two problems.
>
>     1, Do you know what are the meanings of ABINIT pseudopotential 
> files
> in detial , such as parameters pspdat,pspcod,mmax,r2well,rchrg...,and
> 0,1,2=l projection function in ~ABINIT/Psp_Dor_tests/14si.psp
>
>     2, If I choose a pseudopotential that was generated by 'ixc=1'
> exchange-corelation functional, should I choose the same xc functional
> as that when doing calculation ?
>      When using the same pseudopotential , I found the different 'ixc'
> values gave much different XC energy in the same physics system.
>
>     Your suggestions will be greatly appreciated.
>
> Yin Wanjian