[Pw_forum] HgTe

Kucukbenli Emine emine.kucukbenli at epfl.ch
Thu Jun 27 10:37:15 CEST 2013

Dear Sara, Dear all,

Some time ago, we have generated and tested the latest pslibrary pseudopotentials (v0.3)

There you can download the already generated pseudopotential files for a variety of XC functionals,
but more importantly, you can get a feel of how they perform
compared to VASP and WIEN2K, an all electron code.

The test is performed on the equation of states parameters obtained by each pseudopotential,
More information on the "Delta Factor" test can be found here:
a comparison between several pseudo libraries and codes,
including FHI pseudos can be found here:

Note that the <delta> for Pslibrary is approx 1.6 meV/atom

emine kucukbenli, postdoc at theos, epfl, switzerland

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