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I have run the "pyprocar.fermi2D('PROCAR-repaired', outcar='OUTCAR', st=True, energy=0.01, noarrow=False, spin=3, code='vasp')"
The procar is repaired before fermi2D.
then after several mins error happens: Traceback (most recent call last):
File "/beegfs/home/b00004/calculation-hcq/soc/2Dslice/soc/slice/py", line 4, in
pyprocar.fermi2D('PROCAR-repaired', outcar='OUTCAR', st=True, energy=0.01, noarrow=False, spin=3, code='vasp')
File "/beegfs/home/b00004/anaconda3/lib/python3.9/site-packages/pyprocar/scriptFermi2D.py", line 92, in fermi2D
rec_basis = outcarparser.RecLatOutcar(outcar)
File "/beegfs/home/b00004/anaconda3/lib/python3.9/site-packages/pyprocar/utilsprocar/utilsprocar.py", line 271, in RecLatOutcar
recLat = np.array(recLat, dtype=float)
ValueError: could not convert string to float: '0.000000000171.062194824'
PS. my vasp running is successful but PROCAR is large due to 200 atoms.
Can anyone help me?
The text was updated successfully, but these errors were encountered:
I have run the "pyprocar.fermi2D('PROCAR-repaired', outcar='OUTCAR', st=True, energy=0.01, noarrow=False, spin=3, code='vasp')"
The procar is repaired before fermi2D.
then after several mins error happens:
Traceback (most recent call last):
File "/beegfs/home/b00004/calculation-hcq/soc/2Dslice/soc/slice/py", line 4, in
pyprocar.fermi2D('PROCAR-repaired', outcar='OUTCAR', st=True, energy=0.01, noarrow=False, spin=3, code='vasp')
File "/beegfs/home/b00004/anaconda3/lib/python3.9/site-packages/pyprocar/scriptFermi2D.py", line 92, in fermi2D
rec_basis = outcarparser.RecLatOutcar(outcar)
File "/beegfs/home/b00004/anaconda3/lib/python3.9/site-packages/pyprocar/utilsprocar/utilsprocar.py", line 271, in RecLatOutcar
recLat = np.array(recLat, dtype=float)
ValueError: could not convert string to float: '0.000000000171.062194824'
PS. my vasp running is successful but PROCAR is large due to 200 atoms.
Can anyone help me?
The text was updated successfully, but these errors were encountered: