[Wien] discontinuity of the valence charge density from a certain energy window

Martin Gmitra martin.gmitra at gmail.com
Fri Jan 23 22:18:36 CET 2009


Dear Wien2k users,

My valence charge density plots are continuos when considering valence
charge from -9.0Ry up to the Fermi level. But if I am choosing a window
of few meVs' below the Fermi level, the density is no more continuos across
the spheres (x lapw2 -all X Y). Should not be the density continuous anyway?
What is the reason for this?

Is it possible to plot an orbital like charge densities from a given energy
window according to, let say, a chosen QTL specified by the ISPLIT?

With many thanks in advance,
Martin Gmitra
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