[Pw_forum] KZK method

[William Parker]

Hi Mohaddeseh,

KZK is in QE.  Just use input_dft='kzk', and QE will use the volume of
your cell to calculate the finite-size correction.  Compare that to the
value using PZ-LDA to get your correction for QMC.

--William

======================================================================
William Parker              Tel :  +1 (614) 292-2887
Graduate Research Associate Fax :  +1 (614) 292-7557
Ohio State University
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On Mon, 7 Jun 2010, mohaddeseh abbasnejad wrote:

> Dear all,
>
> Would you please let me know if KZK method (Kwee, Zhang, and Krakauer) has
> been implemented in PWscf code? If so, how should I use it?
> Thanks in advance.
>
> Yours,
> ---------------------------------------------------------
>
> Mohaddeseh Abbasnejad,
> Room No. 323, Department of Physics,
> University of Tehran, North Karegar Ave.,
> Tehran, P.O. Box: 14395-547- IRAN
> Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
> Cellphone: +989177317514
> E-Mail:     m.abbasnejad at gmail.com
> Website:  http://physics.ut.ac.ir
>
> ---------------------------------------------------------
>