[Pw_forum] poor k-points convergence, ghost states ?
Eduardo Ariel Menendez Proupin
eariel99 at gmail.com
Tue Aug 26 00:42:21 CEST 2008
I am trying to reproduce a paper on AgSbTe. I am having problems to obtain
convergence against the number of k-points. With a supercell of 8 atoms, I
do not have convergence with 26x26x26 Monkhorst-Pack mesh. I think that this
is a quite dense mesh and I should have obtained convergence much before. My
student is also having troble to complete the band calculations.
I am using BHS pseudopotentials for Sb and Te, and US for Ag. I suspect
that I have ghost states. Is there other possible reasonable cause?
University of Chile
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