Errors for robustrelax_vasp

Alloy Theoretic Automated Toolkit (ATAT)
1

Dear Prof. van de Walle,

I tried to use robustrelax_vasp to simple system,
[str.out]
3.632000 0.000000 0.000000
0.000000 3.632000 0.000000
0.000000 0.000000 3.632000
-0.500000 -0.000000 -0.500000
-0.000000 -0.500000 -0.500000
-0.500000 -0.500000 0.000000
-0.500000 -0.500000 -0.500000 Vac
-0.750000 -0.750000 -0.750000 H
-0.250000 -0.250000 -0.250000 H
-1.000000 -1.000000 -1.000000 Fe

However, after I execute the ‘robustrelax_vasp -id -neb -c=0.05’, I got many error lines which start with

runstruct_vasp -w vasp.wrap -c=0.05
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

I think this is happen because runstruct_vasp fails just after I execute robustrelax_vasp.

Could you please share any idea to solve this problem and is it possible to give me some running examples?

Thank you

Best Regards,

2

You would need to look into the output files and tell me a bit more for me to find the problem.
Look at the VASP output and input files if you think this is the issue.
You can try turning off some of the steps to debug, e.g.

robust_relax -c 0.05 -vc "" -cc "" -sc ""