[Wien] 3D band dispersion

Subhasis Samanta subhasissamanta2 at gmail.com
Sat Feb 13 19:43:42 CET 2016


Dear Peter Blaha,

            I want to plot the three dimensional band dispersion (kx, Ky,
and E). For this I need to know the energy eigen values of all the k-points
(Not only the irreducible, but all) in the entire brillouin zone. How to
directly extract the kx, ky, kz and corresponding E values from the scf
calculation?

-- 
best wishes

Subhasis
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160214/0b9e66a1/attachment.html>


More information about the Wien mailing list