#88 FHI-aims geometry.in format

[Juergen Wieferink]

The geometry input file format of the density functional
package FHI-aims:

http://www.fhi-berlin.mpg.de/aims/

is quite simple. The attached tarball contains two sample
inputs, one for a molecular system and one for a periodic crystal.
I do not know how to express a periodic system in another file
format, so I have attached the corresponding xyz file only for
the molecule. -- So the Bravais lattice part of the patch may
actually be wrong.

Juergen

[Juergen Wieferink]

Tarball with a patch and two sample input files

[Juergen Wieferink]

Sorry, this should have gone into File Format Support. I would be grateful If someone with the corresponding privileges could move it there.

Thanks,
Juergen