Traceback (most recent call last): File "hdf52cube.py", line 10, in ? poissonsolver=PoissonSolver(), File "/home/camp/askhl/gpaw-hdf5/gpaw/paw.py", line 116, in __init__ self.initialize() File "/home/camp/askhl/gpaw-hdf5/gpaw/paw.py", line 587, in initialize self.density.set_mixer(par.mixer) File "/home/camp/askhl/gpaw-hdf5/gpaw/density.py", line 325, in set_mixer self.mixer.initialize(self) File "/home/camp/askhl/gpaw-hdf5/gpaw/mixer.py", line 206, in initialize mixer.initialize_metric(density.gd) File "/home/camp/askhl/gpaw-hdf5/gpaw/mixer.py", line 69, in initialize_metric self.mR_G = gd.empty() File "/home/camp/askhl/gpaw-hdf5/gpaw/grid_descriptor.py", line 178, in empty return self._new_array(n, dtype, False, global_array, pad) File "/home/camp/askhl/gpaw-hdf5/gpaw/grid_descriptor.py", line 195, in _new_array return np.empty(shape, dtype) ValueError: negative dimensions are not allowed GPAW CLEANUP for serial binary: exceptions.ValueError occured. Calling sys.exit()