[QE-users] ldos for a sphere
Aleksandra Oranskaia
aleksandra.oranskaia at kaust.edu.sa
Sun Jul 3 19:58:03 CEST 2022
Dear users and developers,
I am wondering if there is a functionality in QE that would allow to
integrate dos [not for the parallelepiped boxes with n_proj_boxes in
projwfc.x but] for the spheres?
Something like described for vasp in doi:10.1038/nature11812 where they
obtained dos around point X (please see p5 of SI, 2nd part of the page).
Thanks in advance,
Al.
--
Best wishes,
Alex (she/her/hers),
phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/
--
This message and its contents, including attachments are intended solely
for the original recipient. If you are not the intended recipient or have
received this message in error, please notify me immediately and delete
this message from your computer system. Any unauthorized use or
distribution is prohibited. Please consider the environment before printing
this email.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220703/78b479bd/attachment.html>
More information about the users
mailing list