[ase-users] abinit and ase

Roger Mason rmason at mun.ca
Wed May 1 17:36:05 CEST 2019


hello,

Roger Mason via ase-users <ase-users at listserv.fysik.dtu.dk> writes:

> Steps taken:
>
> export ASE_ABINIT_COMMAND="abinit < PREFIX.files > PREFIX.log"
> export PP=~/home/rmason/Research/DataFiles/Pseudopotentials/abinit-pseudopotentials-2

Replying to my own post: there is anerror in 'export PP' above, so the
path is wrong.  Duh!

Sorry for the noise.

Roger


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