Dear all,
i have some cif files, which doesn’t work on larch. One example is KBi2, which
works well on Artmenis with feff6. The same file (and also the cifs found in
the database) won't work on larch (not with feff 6 nor feff8). There is no
error message displayed -> just, that feff is
calculations are done on a Macbook-Air with the current uptodate OS.
best regards
Stefan
> Am 09.08.2023 um 16:51 schrieb Mangold, Stefan (IPS) :
>
> Dear all,
>
> i have some cif files, which doesn’t work on larch. One example is KBi2,
> which works well on Artmenis with feff6. The same
Hi Stefan,
Can you send a CIF file that is not working? I tried the one for BiK3 from
the built-in AmMin database, and it worked for me. But, for sure it is
possible to come up with a CIF file that doesn't work! They are
surprisingly tricky.
On Wed, Aug 9, 2023 at 9:51 AM Mangold, Stefan (IPS)
Am 09.08.2023 um 17:17 schrieb Matt Newville
mailto:newvi...@cars.uchicago.edu>>:
Hi Stefan,
Can you send a CIF file that is not working? I tried the one for BiK3 from the
built-in AmMin database, and it worked for me. But, for sure it is possible to
come up with a CIF file that doesn't
Hi Stefan,
OK, yes I see that too. I have this fixed in the code. For a quick
workaround, changing
_chemical_name_common 'Bismuth potassium (2/1)'
to
_chemical_name_common 'Bismuth potassium'
will fix the problem.
On Wed, Aug 9, 2023 at 11:25 AM Mangold, Stefan (IPS) <
