[Pw_forum] projwfc analysis

[Jess Kondor]

Hello, everybody,

  I have a question. I would like to analyze a magnetic structure (to define
magnetic moments on each atom) using projwfc postprocessing code. In the
example08 from espresso distribution (nickel in that case), the next steps
were performed : 'scf', 'nscf', then DOS was calculated and after that
projwfc was used. I  am wondering, is it really needed (and correct) to use
'projwfc' code after non-scf calculation? The number of k-points will be
huge with respect to scf calculation, and thus the computer time for
analysis will be increased.

cheers,
  jess
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20070523/30b6b42f/attachment.htm