It fails parsing NBANDS of OUTCAR at VASP 6.3.1.
| File "/home/togo/.miniforge/envs/phdb/lib/python3.9/site-packages/parsevasp/outcar.py", line 149, in _from_list
| self._data['run_status']['nbands'] = int(line.split('NBANDS=')[1].strip())
| ValueError: invalid literal for int() with base 10: ''
Part of OUTCAR is as follows:
Dimension of arrays:
k-points NKPTS = 2 k-points in BZ NKDIM = 4 number of bands NBANDS=
NGX,Y,Z is equivalent to a cutoff of 10.34, 10.34, 10.34 a.u.
NGXF,Y,Z is equivalent to a cutoff of 20.69, 20.69, 20.69 a.u.
This is considered as a bug of VASP, and I will investigate if this will also happen at VASP 6.3.2. But it may be good to handle this issue.
It fails parsing NBANDS of OUTCAR at VASP 6.3.1.
Part of OUTCAR is as follows:
This is considered as a bug of VASP, and I will investigate if this will also happen at VASP 6.3.2. But it may be good to handle this issue.