This blog is to discuss calculations using VASP code.
Some of the POTCAR files (e.g. potpaw_GGA files) are compressed using .Z extension. How to extract this in Linux?
Just use the following:
zcat POTCAR.Z > POTCAR
This will uncompress .Z format and save the file in POTCAR.
"The Maximum index for Augmentation-charges (SET IRDMAX)" error is most-likely due to parallelization issues. To check this, try...
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