Issue i'm facing in installlation doped POTCAR files in Windows

pymatgen
1

I’m doing installations and configuration for doped code In Windows, an error comes again and again that the pymatgen POTCAR files are not properly installed . Someone can guide me on how to do that.

2

Can you provide a little more detail about what you’ve tried so far? Have you followed the most recent pymatgen documentation?

The structure of a pymatgen POTCAR directory is generally:

POTCARs 
    / POT_GGA_PAW_PBE
    / POT_GGA_PAW_PBE_52
    ...

where the nested directories correspond to a given POTCAR library release. The last step is adding a PMG_VASP_PSP_DIR environment variable to point to POTCARs in a file called either ~/.pmgrc.yaml or ~/.config/.pmgrc.yaml.

3

Yeah, I tried, but I think this documentation assumes that you have Ubuntu installed on your system. My issue is I want to these all the steps in the Windows OS system but unable to do it so far.

4

I’m personally not running ubuntu and we don’t restrict to a specific os (besides generic linux, MacOS, and windows)

Is your POTCAR directory structure in the format I wrote, and did you make a config file at your home? The syntax is different for home directories on windows vs *nix systems (I think you can only use ~/ to mean home with powershell?)