[QE-users] Smearing in metals - what are metals in the context of Quantum espresso - Reg

singaravelan T R trsingaravelan27 at gmail.com
Fri Jul 3 13:24:45 CEST 2020


Dear all,
In the tutorial files, there is lists called occupations and we have
options in that like tetrahedron, smearing etc.
*Question:*
*We can apply smearing in the case of metals right, then what are metals in
the context of Quantum espresso.? *
*is this D and f block elements alone or elements from s and p block also
like Al, Sr etc.*
*Is it mean we cannot apply smearing to Non metals and metalloids in the
periodic table.*
With thanks,
Singaravelan T R
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