[Pw_forum] processing large charge_density and spin_density xml files

[stewart at cnf.cornell.edu]

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