The use of PPs that do not remove core electrons.

sissaschool / turborvb

Quantum Monte Carlo package, TurboRVB

https://turborvb.sissa.it

GNU General Public License v3.0

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Closed kousuke-nakano closed 4 months ago

kousuke-nakano commented 4 months ago

Found a corner case. If the atomic number is 0 with PP, makefort10.x produces a wrong fort.10.

kousuke-nakano commented 4 months ago

Solved.