Closed dwinston closed 9 years ago
This is really a data problem. I am not sure what is happening. But the energies has 581 elements and the densities has 601 elements. That cannot be the case.
Also, this seems to be non-spin-polarized, which is strange since we always do spin-polarized calculations. I suspect that the vasp run resulted in a bad DOS (e.g., one of the ***\ values type), which is non-fatal in parsing, but is fatal when trying to plot it.
The DOS object itself does not perform a check on the length of the arrays.
In conclusion, someone needs to trace back the original data source. It is not a pymatgen problem. Closing this issue.
I'm getting a ValueError pertaining to numpy array shapes when trying to get the DOS plots for a couple of materials. Out of 500 sample materials, I found only two that fail to plot, so the problem may be upstream, e.g. the db data is misformatted. However,
MPRester.get_dos_by_material_id
succeeds in instantiating apymatgen.electronic_structure.dos.CompleteDos
, which should always be plottable.Reproduction:
Trace: