[Pw_forum] KZK functional

[Sam Azadi]

Dear QE developers,

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
---------

while no problem with same input file but changing K_POINTS input format to:

  K_POINTS (automatic)
  nk1 nk2 nk3 0 0 0

any comments would be appreciated

Yours
Sam

********************************************
Sam Azadi
Institute of Physical Chemistry and
Center of Computational Science
Johannes Gutenberg University Mainz
Staudinger Weg 9
D-55128 Mainz, Germnay
********************************************

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