[Pw_forum] file format blues

[aaron at nemo.physics.ncsu.edu]

Thanks for advice.  I will get the new code.  I am now creating some nice 
postscript slices with plotrho.  

Thanks again

Aaron
On Tue, 18 Jan 2005, Paolo Giannozzi wrote:

> 
> > I'd like to write a cube file, but the chdens.x complains when I set my
> > output_format=6.  The error is "Atom C not found".
> 
> it comes from flib/atomic_number.f90, called by PP/cube.f90 . Verify
> that it is not something trivial. Which version of the code are you
> using? There was some problem in version 2.1 with one-letter atoms.
> There is a new version on the web site, by the way, that fixes several
> bugs.
> 
> Paolo
> 
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