[Pw_forum] HgTe

sara barati sara.barati1990 at gmail.com
Wed Jun 26 10:51:23 CEST 2013

Dear all

I Want to calculate structrul properties of  HgTe with espresso .For thise
I convert pseudopotentials  80-Hg-GGA.fhi and 52-Te-GGA .fhi from abinit
with upftools. I use 6s26p05d105f0 valance orbitals for Hg. But in some
pseudopotentials for Hg in espresso these orbitals are 6s26p0.55d9.55f0.

Which one is correct?

could anyone help me with this?

I attached the converted file to this email.
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