Re: [QE-users] Format of FFT grid for Potential

Dear Paulo, That clarifies my doubt. Thank you very much. Best, Shivesh Get Outlook for Android From: users on behalf of Paolo Giannozzi Sent: Saturday, October 10, 2020 2:04:21 PM To: Quantum ESPRESSO users Forum Subject: Re:

[QE-users] quasi fermi levels and excited populations in Quantum-Espresso

Dear Quantum-Espresso users, I am currently working on the effect of photogenerated electron-hole pairs in semiconductors on X-ray absorption spectra. The excited electrons and holes remain thermalized for a long time (with respect to the timescale of the experiment) in the conduction band and

Re: [QE-users] Format of FFT grid for Potential

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..

Re: [QE-users] Format of FFT grid for Potential (Shivesh Sivakumar)

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

Re: [QE-users] Format of FFT grid for Potential (Shivesh Sivakumar)

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