Dear all,
We tried to generate the fractional co-ordinates for many systems in
PWSCF. We succeeded for cubic and tetragonal systems but we faced a
difficulty for low symmetry systems. Can some body explain me how to
generate the fractional co-ordinates (in crystal format) for any crystal
system using Bilbao Crystallographic Server <http://www.cryst.ehu.es/> for
corresponding basis given in the ibrav 0 to 14 in PWSCF site.
Looking forward for a positive reply and thanks in advance.
Regards
KONDAL
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20131214/0deb1432/attachment.html
