[QE-users] Electron Mobility Calculations
Melsa Rose Ducut
melsa_rose_ducut at dlsu.edu.ph
Mon Feb 17 08:23:56 CET 2025
Good day, everyone! I am trying to calculate the electron mobility of doped
molybdenum disulfide. I am using epw.x as the latest version is now capable
of calculating the electron mobility of 2D materials. However, it is taking
a lot of time, especially the ph.x calculations.
May I know if there is another way to calculate the electron mobility using
the data I already have? I currently have the band structure, PDOS, and
optical properties calculations (imaginary
(𝜀2) and real (𝜀1) parts of the complex dielectric function of the
pristine and doped monolayer MoS2).
Thank you for your assistance.
Regards,
Melsa Rose Ducut
PhD Candidate
DLSU Manila, Philippines
--
DISCLAIMER AND CONFIDENTIALITY NOTICE The information contained in this
e-mail, including those in its attachments, is confidential and intended
only for the person(s) or entity(ies) to which it is addressed. If you are
not an intended recipient, you must not read, copy, store, disclose,
distribute this message, or act in reliance upon the information contained
in it. If you received this e-mail in error, please contact the sender and
delete the material from any computer or system. Any views expressed in
this message are those of the individual sender and may not necessarily
reflect the views of De La Salle University.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250217/1d344d01/attachment.html>
More information about the users
mailing list