Hi Stefan,
Hmm, it looks like the pymatgen CIF parser is having a hard time with that
file.
I'll investigate...
On Mon, Aug 14, 2023 at 10:12 AM Mangold, Stefan (IPS) <
stefan.mang...@kit.edu> wrote:
> Dear all,
>
> i have another set of cif files, which also don't work on larch. They work
> wit
Dear all,
i have another set of cif files, which also don't work on larch. They work with
Artemis, except that they hit the 500 atoms limit per cluster. This won't be a
problem in larch, because of the option to exclude the H-atoms.
One problem seems to occur on the line
_chemical_formula_moie
