The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Yan-jun Guo,

Yan-jun Guo wrote:
> Hello:
> Why the Troullier-Martins pseudopotential file of K is
> unavilable on ABINIT website? And where can I get
> that?

The Troullier-Martins table available on the ABINIT Web site
has been produced a long time ago by A. Khein and D. Allan .
Although several tests were made before releasing it, it was discovered
that the K pseudopotential was not accurate at all. So, it has been
deleted from the set.

This does not mean that no Troullier-Martins pseudopotential
will work for K. But simply that the parameters that A. Khein and D. Allan
choose were not adequate. Someone should try to generate a new one,
and test it carefully. Generating psps using several codes available
on the Web is usually not difficult, but require reading the
related documentation, and often gaining some expertise ...

Xavier Gonze