EXX with ACE fails when there is only one occupied state
This is a patological case, the first one we are aware when EXX with ACE fails to work most likely because there is only one occupied state. The case is the one of an isolated idrogen atom with, see attached input. I am attaching also a pseudo but the problem is reproducible with any H pseudo. Everything works fine if ace
is set to .false.
Edited by Pietro Delugas