Runstruct_vasp error

Alloy Theoretic Automated Toolkit (ATAT)
1

Hello,
I’m getting the error below when executing runstruct_vasp.

gzip: /home/conrad.r.cole/MY_PSP/POT_GGA_PAW_PBE_54/Cu/POTCAR.Z: No such file or directory
cp: cannot stat ‘OSZICAR’: No such file or directory
cp: cannot stat ‘OUTCAR’: No such file or directory
cp: cannot stat ‘CONTCAR’: No such file or directory
cp: cannot stat ‘CONTCAR’: No such file or directory
cp: cannot stat ‘OSZICAR’: No such file or directory
cp: cannot stat ‘OUTCAR’: No such file or directory
cp: cannot stat ‘CONTCAR’: No such file or directory
cp: cannot stat ‘DOSCAR’: No such file or directory

2

Yep, making sure that /home/conrad.r.cole/MY_PSP/POT_GGA_PAW_PBE_54/Cu/POTCAR.Z exists would be a good place to start.

3

This tells you that your VASP setup is not working. Look into the directory generated to do the first VASP run and check whether files are there.
Did you create a vasp.wrap and set your VASP stuff in .ezvasp.rc?