[Wien] Total (MT+interstitial) up/dn charge density with SOC?

Lukasz Plucinski lukasz.galaxy.s3 at gmail.com
Fri Feb 20 10:31:54 CET 2026


Dear All,

I often use qtl to calculate "fat bands". With SOC this allows to attribute
spin-polarization to bands, in spaghetti plots.

I understand that both qtl and lapw2 only operate on charge within MTs. Is
there any way to get total charge per E(k) eigenvalue, that means a sum of
MT and interstitial? Of course then there is no orbital character, but just
for spin it should not matter.

lapw5 can plot real space charge densities, so it seems the information is
there.

I ask because I think in some materials interstitial spin for E(k) may not
be negligible and it would be useful if WIEN2k can plot it.

Best,
Lukasz
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