[Pw_forum] XCrySDen, gOpenMol: translational asymmetric unit cell

[Goranka Bilalbegovic]

Hello,

(1) I found an example (cluster) where in the XCrySDen, the translational asymmetric unit cell follows the symmetry of the problem. This is not true for "nicely cut unit cell = unit cell". The *.xsf file (prepared by PWscf 1.3.0, pp/chdens) opens with "unit cell". However, when I change this option (display menu/unit of repetition) to the "Translational asymmetric unit", only the balls/stick image changes, whereas charge densities are still distributed according to the "unit cell". Is there a way to plot charge densities for the translational asymmetric unit cell ?

(2) In gOpenMol, I was not able to find something similar to the translational asymmetric unit cell of XCrySDen. Is this possible in gOpenMol ?

Thanks for help.
Best regards,
Goranka
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20040107/3d1f2462/attachment.htm