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Error while reading data from the location folder #67

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archie1511 opened this issue Jun 15, 2024 · 0 comments
Open

Error while reading data from the location folder #67

archie1511 opened this issue Jun 15, 2024 · 0 comments

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@archie1511
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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

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