You can use lsign in pp.x ---------------------------------------------------- Duy Le Postdoctoral Associate Department of Physics University of Central Florida. Website: http://www.physics.ucf.edu/~dle
On Fri, Jun 28, 2013 at 6:28 AM, Davide Tiana <d.tiana at bath.ac.uk> wrote: > Dear all, > I would like to compare the crystalline orbitals of periodic calc made > with pw.x with molecular made with gamess on a single molecule. > using pw.x is it possible have the full information of the wfn (so > including the phases) at the gamma point? > > Cheers, > Davide > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
