[Pw_forum] xcrysden shows only primitive structure for output of QE

James Lee james_lee1 at inbox.com
Sun Nov 23 05:40:22 CET 2014


Hi 
When I use ibrav=0 and conventional cell coordinates, xcrysden shows conventional cell for vc-relax
output, and everything is ok.
when I use ibrav=2, xcrysden can show both primitive and conventional cell
for input file, but for its vc-relax output, xcrysden only shows optimized primitive cell. 
I need the optimized structure in conventional form.
I use QE5.1.1, and Xcrysden 1.5.60.

Regards
James

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