Hi everyone, I have been looking at a fairly large system (160 atoms) with a nanowire between two (111) leads in PWscf. I have converged the system, but now I would like to plot out the charge density. I have the xml files for charge density and spin density. However, I am running into insufficient virtual memory complaints when running pp.x, even when I run the parallel version.
Does anyone know if it is possible to read the xml files directly with some visualization packages (XCrysDens). The xml files are fairly large (58 MB), so I may be running into file size limit problems. Is it always necessary to run pp.x and then generate plot output? I have been using version 3.1.1 for these calculations. Thanks, Derek ################################ Derek Stewart, Ph. D. Scientific Computation Associate 250 Duffield Hall Cornell Nanoscale Facility (CNF) Ithaca, NY 14853 stewart (at) cnf.cornell.edu (607) 255-2856
