[xcrysden] problems with visualisation of QE input file

[Claudia Mangold]

Dear xcrysden developer(s),

I use xcrysden to visualise QE input and output and I mam very happy
with it. Thanks a lot for providing this program for free to the
community. So far I only discovered one problem of which I am not 100%
sure if it is a bug or a misunderstanding from my side:
In QE input files you can specify

CELL_PARAMETERS and ATOMIC_POSITIONS in angstrom and in bohr. However,
the visualisation with xcrysden works only properly with CELL_PARAMETERS
specified in bohr. If I use angstrom then the cell is visualised
wrongly. This doesnt affect the ATOMIC_POSITIONS: If I specify them in
angstrom, it works.
Is this a known problem?
I use Version: xcrysden 1.5.53


I would be happy, if you could help me to solve this problem
Best wishes,
Claudia Mangold

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Claudia Mangold
 Postdoctoral fellow
 MPI for Polymer Research
 Ackermannweg 10
 55128 Mainz
Tel.: +49 6131 379-481
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