[QE-users] Keep the symmetry during a calculation

Lorenzo Paulatto paulatz at gmail.com
Mon Nov 26 10:06:44 CET 2018


> But I'm not sure *PW/tools/cell2ibrav.f90* 
> I tried to recompile with and without adding *PW/tools/cell2ibrav.f90* 

Hello,
do not include that file at all, it's an external tool that's not used 
here. Just apply the two-line patch to move_ions.f90

cheers

-- 
Lorenzo Paulatto - Paris


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