[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/

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