Traceback (most recent call last):


 "test.py", line 24, in <module>

method.kernel()


 "/home/work/pyscf/pyscf/lib/misc.py", line 601, in aliased_fn

return getattr(self, fname)(*args, **kwargs)


 "/home/work/pyscf/pyscf/scf/hf.py", line 1630, in scf

conv_check=self.conv_check, **kwargs)


 "/home/work/pyscf/pyscf/scf/hf.py", line 122, in kernel

dm = mf.get_init_guess(mol, mf.init_guess)


 "/home/work/pyscf/pyscf/scf/hf.py", line 1563, in get_init_guess

dm = self.init_guess_by_atom(mol)


 "/home/work/pyscf/pyscf/scf/hf.py", line 1519, in init_guess_by_atom

return init_guess_by_atom(mol)


 "/home/work/pyscf/pyscf/scf/hf.py", line 468, in init_guess_by_atom

e_hf, e, c, occ = atm_scf[symb]
KeyError: 'GHOST-Mg'

Traceback (most recent call last):

 "/home/el3ctron/.local/bin/autokey-gtk", line 31, in <module>
from src.lib.gtkapp import ApplicationImportError: No module named 'src'