Hi Seunghwan, I did not use Xcrysden, but I had the same problem when I used GOPenMol. I just re-formatted the density data by translating the pieces at 4 corners to the center (You may need to play around with it a little bit). I think you may do the same thing.
Good luck, Trinh > Hi All, > > I am trying to plot electron density using Xcrysden with the .xsf file > from pp.x. My system is nanotube (with lots of empty space) with the > origin > at the center of nanotube. When I plot the system with Xcrysden, > the nanotube is chopped off and redistributed into the coners of unit > cell. > I can make the atoms back together and make a whole using > "translational asymmetric unit" option, but I can't do the same for the > isosurface of electron density. So, the isosurface remins chopped off. > I tried to regenerate .xsf file (using pp.x) with the origin of plotting > parallelepiped specified by e1(i), e2(i), e3(i) and x0(i), but it didn't > make any difference. > > Is there any way to fix this in Xcrysden? > > Thank you for your help. > > Seunghwan Lee > UNC > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
