[Pw_forum] Problem in DOS calculation

[Paolo Giannozzi]

On Jul 21, 2008, at 16:12 , Padmaja Patnaik wrote:

> This warning messages continues for around 4 /5 days

the cpu time per k-point for a DOS calculation will be
similar to the cpu time per kpoint of a scf calculation.
If you want a DOS with many k-points, it will take a lot
of time.

> and then either it stops the calculation or it writes all the
> expected output files but the DOS curve obtained is wrong.

how do you know it is wrong?

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222