[Pw_forum] KZK functional

[Paolo Giannozzi]

On May 2, 2012, at 13:36 , Sam Azadi wrote:

> Using 'KZK' functional as 'input_dft'  with K_POINTS input format of:
>
> K_POINTS (crystal)
>  n
>  xk(1,1)  xk(2,1)  xk(3,1)  wk(1)
> [...] gives me following error:
> ---------
> from set_finite_size_volume : error #         1
>  volume is not positive, check omega and/or nk1,nk2,nk3

"grep set_finite_size_volume PW/*.f90" (or PW/src/*f90 in the SVN  
version)
and you will understand.

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