lucydot / effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
https://effmass.readthedocs.io/en/latest/
MIT License
73 stars 39 forks source link

Error while reading data from the location folder #67

Open archie1511 opened 5 months ago

archie1511 commented 5 months ago

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