e: [QE-users] Format of FFT grid for Potential
On Sat, Oct 10, 2020 at 5:52 AM Shivesh Sivakumar
mailto:shiveshsivaku...@gmail.com>> wrote:
For instance, my FFT grid has dimensions 40x54x180. If I understand correctly,
this means:
1) The lattice constant along 'a' is divided into 40 poin
On Sat, Oct 10, 2020 at 5:52 AM Shivesh Sivakumar <
shiveshsivaku...@gmail.com> wrote:
>
> For instance, my FFT grid has dimensions 40x54x180. If I understand
> correctly, this means:
> 1) The lattice constant along 'a' is divided into 40 points, along 'b' is
> divided into 54 points and so on..
Hello,
I had previously taken a look at the pp.x documentation webpage, but
couldn't find information about the format in which the FFT is printed.
That is why I was wondering if my interpretation of it is correct.
Best,
Shivesh Sivakumar
University of Washington Seattle
WA-98105
On Sat, Oct
Hi Shivesh Sivakumar,
To understand how the grid is written in the file, you can check this page:
https://www.quantum-espresso.org/Doc/INPUT_PP.html#idm167
I hope it helps.
Bests.
* Marcelo Albuquerque*
* Ph.D Student*
* Physics Institute*
*Universidade Federal
Hello users,
I am trying to analyse the spatial variation of exchange-correlation
potential 'V' for my system. I am doing this using the 'pp.x' module in the
directory containing the charge density data for my system. I also used
'iflag=3' and 'output_format=5' which prints out a 3-D FFT grid
