[Pw_forum] hybrid functional error

[Paolo Giannozzi]

On Dec 17, 2011, at 11:14 , Yunpeng Wang wrote:

> from expint : error #         1
> bad arguments
>
> Where is the problem?

it is where the error message says it is: in "expint" (flib/expint.f90).
If you go inside the file, you will see that this error arises when
   * n < 0 , or
   * n=0,1 and x<=0, or
   * n>1 and x<0
The second case is the relevant one, I guess,
Please specify which version of QE you are using: there have been
several minor changes to the HSE routines since the first release.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222