Commit 3635f3ad by Francois Gygi

Exit response calc if fractionally occ states

parent 9d34423a
......@@ -46,6 +46,13 @@ int ResponseCmd::action(int argc, char **argv)
cout << " ResponseCmd: ecut = 0.0, cannot run" << endl;
return 1;
}
if ( s->wf.nel() != 2 * s->wf.nst() )
{
if ( ui->onpe0() )
cout << " ResponseCmd: cannot run with fractionally\n"
" occupied or empty states" << endl;
return 1;
}
bool rpa = false;
bool ipa = false;
......
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