Fix: init nonlocal beta orbitals only when necessary

deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

http://abacus.ustc.edu.cn

GNU Lesser General Public License v3.0

174 stars 136 forks source link

Closed maki49 closed 3 days ago

maki49 commented 5 days ago

Some PP files do not have nonlocal beta orbitals, e.g. H LDA GTH potential. Then the present code will produce a segment fault.