[Pw_forum] file format blues

Paolo Giannozzi giannozz at nest.sns.it
Tue Jan 18 12:21:15 CET 2005


> 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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