Error while reading data from the location folder

[archie1511]

I am using VASP outputs for calculating effective mass using EFFMASS code. While running EFFMASS, I am getting the following errors. I have already specified the correct location of the VASP output files needed for effective mass calculation.

File "/Library/Frameworks/Python.framework/Versions/3.12/bin/effmass", line 8, in
sys.exit(cli())
^^^^^
File "/Library/Frameworks/Python.framework/Versions/3.12/lib/python3.12/site-packages/effmass/cli.py", line 88, in cli
data = inputs.DataVasp(pathname+"/OUTCAR",pathname+"/PROCAR", ignore=int(ignore))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/Library/Frameworks/Python.framework/Versions/3.12/lib/python3.12/site-packages/effmass/inputs.py", line 420, in init
reciprocal_lattice = outcar.reciprocal_lattice_from_outcar(outcar_path)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/Library/Frameworks/Python.framework/Versions/3.12/lib/python3.12/site-packages/vasppy/outcar.py", line 15, in reciprocal_lattice_from_outcar
outcar = open(filename, "r").read()
^^^^^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: \location\OUTCAR

[lucydot]

Hi @archie1511 - the error suggests there is no OUTCAR file in \location\OUTCAR. Could you give more details about how you are using effmass, including the location you are passing to the command line interface?

Best,

Lucy