[Wien] Regarding electron density calculations

Mamta Chauhan mamta.chauhan71 at gmail.com
Fri May 1 09:00:43 CEST 2015


Dear Users,

I want to calculate the difference charge density. I can calculate the
valence charge density. but don't know to calculate the difference density.
Can anyone help me and suggest to calculate the difference density for
example TiC (Titanium Carbide) in Wien2k? Is there any tutorial available
for it?

With thanks and regards,
Mamta
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