[Wien] {Wien] Fermi levell

[Peter Blaha]

As you can easily see from your scf2 file your calculation gives a metal.

I can also see that your stochiometry is Sr2Zn2P2, while on your band 
structure plot you wrote as header Sr2ZnP2 ???

Maybe your struct file is wrong .... ???


Am 24.10.2020 um 09:56 schrieb wien-bounces at zeus.theochem.tuwien.ac.at:

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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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