Diff

Index: wavefunctions.py===================================================================--- wavefunctions.py	(revision 5465)+++ wavefunctions.py	(working copy)@@ -828,7 +828,7 @@                 self.spos_ac = spos_ac                          def load(self, wfs):-                wfs.set_positions(spos_ac)+                wfs.set_positions(self.spos_ac)                 wfs.eigensolver.iterate(hamiltonian, wfs)                 del wfs.lazyloader         Index: io/__init__.py===================================================================--- io/__init__.py	(revision 5465)+++ io/__init__.py	(working copy)@@ -616,7 +616,7 @@         oldmode = 'fd' # This is an old gpw file from before lcao existed              if newmode == 'lcao':-        spos_ac = paw.atoms.get_scaled_positions()+        spos_ac = paw.atoms.get_scaled_positions() % 1.0         paw.wfs.load_lazily(hamiltonian, spos_ac)      if newmode != oldmode: