[ase-users] abinit patch

[Roger Mason]

Hello Ask,

Ask Hjorth Larsen <asklarsen at gmail.com> writes:

>
> Thank you very much.  I have included an equivalent fix in master.
>
> Does Abinit have any standard conventions for pseudopotential search
> paths or environment variables?  The goal is that things should Just
> Work without the need for any ASE-specific configuration.

I am not aware of any conventions, but I am really only just starting
out with abinit.  The abinit *.files file lists the pseudopotential files
(among other stuff), so thay can be stored anywhere that is accessible.
At the moment I have set (setenv "ABINIT_PP_PATH"
"/home/rmason/Software/Test/Abinit/tests/Psps_for_tests/HGH/") for some
initial tests.

Cheers,
Roger