The ABINIT Users Mailing List ( CLOSED )

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

Hello,

Regarding In PP, kindly see the old post :
http://www.abinit.org/wws/arc/forum/2003-10/msg00058.html

About mixing the PPs: should not be recommended, but in principle,  
allowed.
http://www.abinit.org/wws/arc/forum/2004-03/msg00043.html
Still, the energy cut-off (for HGH) should become higher !!
And also, I do not know the HGH PP will work for your system.
Use them at your own risk, as noted on the ABINIT web site.

You might want to make your In pseudopotential.
In such case, you might want to refer to Dr. Fuch's PDF
(and references therein):
http://cst-www.nrl.navy.mil/~erwin/abinit/workshop02/presentations/10- 
Fuchs.pdf
Why don't you try literature survey for In TM-pseudopotentials ? You  
could follow them.
(kindly dig in publish.aps.org, www.ingenta.com, www.google.com, ...)

Good continuation,
Masayoshi

On 2004/06/01, at 12:53, liuyudong97@mails.tsinghua.edu.cn wrote:

> Dear All:
> Why the Troullier-Martins pseudopotential file of In is unavilable?  
> the reason for no PP of K had been stated.
> It is proper to calculated by using both of  
> Hartwigsen-Goedecker-Hutter Indium PP and a Troullier-Martins Al PP at  
> ONE cell?
>
> thank you