[QE-users] Th 5f1 6d1

we we09090 at gmail.com
Fri May 8 16:14:20 CEST 2020


Dear users,

I found pseudopotentials for Th in espresso ps-library, where Th has 5f1
6d1 in valence configuration. But Th atomic is known in 6d2. So why there
is unusual state in pseudos? Maybe it was built for some special systems?

Sincerely, Eugenia We.
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