Dear PW users,
I need some clarifications on the input file of pp.x. In the &inputpp
namelist, what does the "kpoint" mean?
To be specific, If I want to visualize the charge density of a particular
band ("kband") at any arbitrary k-point in the Brillouin zone (e.g at Gamma
(0, 0, 0) and Z(0, 0, 0.5)) what "kpoint" (integer) values should I
specify in each case in the &inputpp namelist?
Thanks in advance.
Regards,
Koushik
MS student
JNCASR, Bangalore-560064
India
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