Trouble getting maps to interface with VASP

Alloy Theoretic Automated Toolkit (ATAT)
1

Hi all,

I installed ATAT and managed to get the basic program working, but the interface with VASP doesn’t work. Specifically, when I type runstruct_vasp, I get the following message:

zcat: can’t stat: /Volumes/Users_HD/MD_NFS/mmji2/VASP/potPAW_PBE.54/Cd/POTCAR.Z (/Volumes/Users_HD/MD_NFS/mmji2/VASP/potPAW_PBE.54/Cd/POTCAR.Z.gz): No such file or directory
zcat: can’t stat: /Volumes/Users_HD/MD_NFS/mmji2/VASP/potPAW_PBE.54/Se/POTCAR.Z (/Volumes/Users_HD/MD_NFS/mmji2/VASP/potPAW_PBE.54/Se/POTCAR.Z.gz): No such file or directory
cp: OSZICAR: No such file or directory
cp: OUTCAR: No such file or directory
cp: CONTCAR: No such file or directory
cp: CONTCAR: No such file or directory
cp: OSZICAR: No such file or directory
cp: OUTCAR: No such file or directory
cp: CONTCAR: No such file or directory
cp: DOSCAR: No such file or directory
unable to open OSZICAR or OSZICAR.static

Any idea what I’ve done wrong?

2

Have you solved this problem?

3

What in the world…

I must’ve made this post, like, 7 years ago. Why has it only just posted now? I have no idea if I ever solved this problem, I don’t remember, I’m not even in materials science any more.

4

Does the file /Volumes/Users_HD/MD_NFS/mmji2/VASP/potPAW_PBE.54/Cd/POTCAR.Z exist?
If not, does it exist at another location? If so, edit the ~/.ezvasp.rc file accordingly.
If the POTCAR.Z file does not exist anywhere, then you first need to download the pseudopotental files from the VASP web site (consult VASP documentation).