[Pw_forum] file format blues
aaron at nemo.physics.ncsu.edu
aaron at nemo.physics.ncsu.edu
Tue Jan 18 10:09:35 CET 2005
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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