I am new user to pymatgen. I successfuuly installed pymatgen-2022.0.16 based on the anaconda3-2021-05 according to the installation procedure. I encountered some quesstions during the configurion of the VASP pseudopotential as following:
- The POTCAR setup recommend to run the script that “pmg config -p <EXTRACTED_VASP_POTCAR> <MY_PSP>”. The <EXTRACTED_VASP_POTCAR> is the location of the directory that you extracted the downloaded VASP pseudopotential files. While I can not undersatand what the <MY_PSP> mean, a full path to your potential file used in pymatgen or just a folder name?
I tried to asign a full path of new folder to <MY_PSP> like “pmg config -p /public/user1/soft/Potentials_vasp5/ /public/user1/soft/MY_PSP”, some errors present
(py38) [[email protected] ~]$ pmg config -p /public/user1/soft/Potentials_vasp5/ /public/user1/soft/MY_PSP
Traceback (most recent call last):
File “/public/user1/anaconda3/envs/py38/bin/pmg”, line 5, in
from pymatgen.cli.pmg import main
File “/public/user1/anaconda3/envs/py38/lib/python3.8/site-packages/pymatgen/cli/pmg.py”, line 16, in
from pymatgen.core import SETTINGS
File “/public/user1/anaconda3/envs/py38/lib/python3.8/site-packages/pymatgen/core/init.py”, line 62, in
SETTINGS = _load_pmg_settings()
File “/public/user1/anaconda3/envs/py38/lib/python3.8/site-packages/pymatgen/core/init.py”, line 52, in _load_pmg_settings
TypeError: ‘NoneType’ object is not iterable
If some one can help me solve this problem? Or what can I do to sovle this issue?