[xcrysden] wien2k fermi surface calculation

Yundi Quan quanyundi at gmail.com
Fri Mar 2 21:42:27 CET 2012


Hi,
When using xcrysden to calculate the Fermi surface for WIEN2k, it
seems that xcrysden does not take into consideration the LDA+U. I
mean, xcrysden does not have an option for x lapw1 -up -orb. Is it
fine for me to run x lapw1 -up -orb separately?


Yundi


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