MPRelaxSet.write_input error


Hello,everyone! I have met the next problem when I used MPRelaxSet.write_input() function:

OSError: You do not have the right POTCAR with functional PBE and label Fe_pv in your VASP_PSP_DIR

BUT I have done:
pmg config -p /home/steven/pymatgen/POT-54/PBE/ /home/steven/pymatgen/my_psp
pmg config --add PMG_VASP_PSP_DIR /home/steven/pymatgen/my_psp

Note that “/home/steven/pymatgen/POT-54/PBE/” is the directory of Pseudopotentials

And the contents of home/steven/pymatgen/my_psp/PBE are:

Who can help me for solving this problem? Thank you all!


A post was merged into an existing topic: MPRelaxSet.write_input