[Pw_forum] Generation of fractional co-ordinates in PWSCF

Yedu Kondalu nykondalu at gmail.com
Sat Dec 14 07:07:54 CET 2013

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.

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