POTCAR Setup failure on windows


I’m having issues setting up POTCAR on windows. When I’m trying to generate my POTCAR files, I get stuck on the first step and get this “An error has occured. Message is [WinError 2] The system cannot find the file specified. Trying to continue…”

The command I’m typing is : pmg config -p C:\Users\jhell\Desktop\POTCAR\VASP_PSP\ C:\Users\jhell\Desktop\POTCAR\MY_PSP\

I have the extracted files in the folder VASP_PSP on my desktop and I’m trying to put them in the MY_PSP folder.

any help would be wonderful!

Julian Fanghanel

We might need to see more of the error, but that sounds like it can’t find pmg which suggests you’re not in a command line where the right python environment is active. Are you opening up the terminal from Anaconda which is probably the easiest python distribution to setup on Windows?

Hi, thanks for the response. Yes, I’m in anaconda. I tried uninstalling everything and reinstalling but to no avail. I have followed the instructions to the letter from the pymatgen installation guide, but I can’t get it to work on my windows machine. I had no issues with my Linux machine though. My friend seems to think it might be due to the difference between terminal and windows, where the / is backwards on windows \ for folders… I’m attaching a portion of the error.I am quite lost…