[QE-users] About the calculation of dielectric function by using QE package

[PURINUT SAE-FU]

Dear Lorenzo

Thank you very much for introducing the NCPP download link. After you mentioned looking in the TDDFT package,  from the mail archive, I found that the epsilon is printed in the output obtained by the turbo_eels.x code.  However, the paw pseudopotential cannot be used in the turbo_eels.x. By the way, I have got 2 methods to calculate the dielectric functions. I'm delightful.

Best regards,

PURINUT SAE-FU
Ph.D. Student
Department of Physics, Faculty of Science, Mahidol University, Thailand
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Bastonero <lbastone at uni-bremen.de>
Sent: Tuesday, April 11, 2023 7:58 PM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] About the calculation of dielectric function by using QE package

Dear Purinut,

but I cannot find the NCPP files. I would like to ask 1) Where can I get the NCPP files? 2) Is there a way to calculate the dielectric function of the material that applied PAW pseudopotential?

1.) Did you try looking here http://www.pseudo-dojo.org/ ? You should be able to find what you need.
2.) If it can be of any help, you can try looking if PAW is implemented in the TDDFT package and compute it from there.

HTH,
Lorenzo

********************************
Lorenzo Bastonero

PhD Student
U Bremen Excellence Chair,
Bremen Center for Computational Materials Science,
and MAPEX Center for Materials and Processes

University of Bremen
Faculty of Production Engineering
TAB-Building, Room 3.32
Am Fallturm 1
28359 Bremen, DE

http://www.hmi.uni-bremen.de/
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