[QE-users] Metagga pseudopotential.

Bikash Patra bikash.patra at niser.ac.in
Mon May 7 19:41:14 CEST 2018

Dear users,

I am trying to understand the metagga pseudopotential generation for Si.
>From quantum espresso website I have seen the metagga pseudopotential for
Si and I noticed the valence configuration of Si is taken as 3s2.00 3p2.00
3d1.00 (https://www.quantum-espresso.org/upf_files/Si.tpss-mt.UPF ). Is
this mean there are five valence electrons?  Or how to choose the valence

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