[gpaw-users] need your help

[khadija korichi]

Hi all
when I run the following example  it give me this error message
 
although I  test some example NACl.py, H.py C2H2.py benzene.py .... and I had no problem with there.

**********************************************************************************************

from ase import Atoms
from gpaw.transport.calculator import Transport 
from gpaw.atom.basis import BasisMaker
from gpaw.occupations import FermiDirac
from gpaw.poisson import PoissonSolver
from gpaw.mixer import Mixer
import pickle

a = 3.6
L = 7.00

basis = BasisMaker('Na').generate(1, 1, energysplit=0.3)

atoms = Atoms('Na12', pbc=(0, 0, 1), cell=[L, L, 12 * a])
atoms.positions[:12, 2] = [i * a for i in range(12)]
atoms.positions[:, :2] = L / 2.
atoms.center()
pl_atoms1 = range(4)     
pl_atoms2 = range(8, 12)
pl_cell1 = (L, L, 4 * a) 
pl_cell2 = pl_cell1

t = Transport(h=0.3,
              xc='LDA',
              basis={'Na': basis},
              kpts=(1,1,1),
              occupations=FermiDirac(0.1),
              mode='lcao',
              poissonsolver=PoissonSolver(nn=2, relax='GS'),
              txt='Na_lcao.txt',
              mixer=Mixer(0.1, 5, weight=100.0),
              pl_atoms=[pl_atoms1, pl_atoms2],
              pl_cells=[pl_cell1, pl_cell2],
              pl_kpts=(1,1,16),
              non_sc=True)
atoms.set_calculator(t)
t.calculate_iv()
**********************************************************************************
message error:

korichi at laptop:~/Bureau/GPAW$ python transport.py 
Traceback (most recent call last):
  File "transport.py", line 2, in <module>
    from gpaw.transport.calculator import Transport 
  File "/home/korichi/Cluster/gridpaw/gpaw/gpaw/transport/calculator.py", line 10, in <module>
    from gpaw.lcao.tools import get_realspace_hs
  File "/home/korichi/Cluster/gridpaw/gpaw/gpaw/lcao/tools.py", line 9, in <module>
    from ase.calculators.singlepoint import SinglePointCalculator
ImportError: No module named singlepoint

please give me your help.
thanks in advance.

/KHADIJA




      
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