[Pw_forum] xcrysden chdens plots

Luke Thulin lukethulin at netscape.net
Thu Jun 22 16:18:07 CEST 2006

Hello everyone,

I'm trying to use xcrysden to view 3D charge density plots.  I set iflag 
= 3 and output_format = 5 for pp.x input.  The pp.x output file doesn't 
report any problems and says it wrote the data file in xcrysden format 
for a 3D plot. When I try to open the data file in xcrysden it gives a 
parse error and won't open it.  There seemed to be a similar discussion 
about this in the archives but I didn't see if the problem was 
resolved.  According to the input_pp documentation, it looks to me that 
if I choose this output format, I don't need to include any of the e1, 
e2, e3, xo, nx, ny, and nz variables, is this correct?


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