In the past I used an utility of DL_POLY (a package widely used for simulations of empirical models of liquids, solids and partially ordered systems, membranes, liquid crystals, etc.):
http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/ The utility was genlat.f (hopefully still contained in the open-source distributed version DL_POLY_CLASSIC). Any reminiscence in the latgen subroutine of QE? I see latgen.f is still used. As for an application, see for instance: http://arxiv.org/abs/1108.3396 However, I agree that if the things are not too complicated, the best is typing coordinates into an XYZ file, after a bit of manual drawing. Finally, watching at the result with some 3d-rendering graphic package. Giovanni La Penna (Cnr-ICCOM) ============================================================ Giovanni La Penna - National research council (Cnr) Institute for chemistry of organo-metallic compounds (Iccom) via Madonna del Piano 10, I-50019 Sesto Fiorentino, Firenze, Italy tel.: +39 055 522-5264, fax: +39 055 522-5203 e-mail: glapenna at iccom.cnr.it - http://www.iccom.cnr.it/lapenna skype: giovannilapenna ============================================================
