[gpaw-users] LrTDDFT exercise failing

[Jens Jørgen Mortensen]

Hi!

I need some help fixing the "Calculation of optical spectra with TDDFT" 
exercise:

https://wiki.fysik.dtu.dk/gpaw/exercises/lrtddft/lrtddft.html

After executing the Na2TDDFT.py script, the part2.py script fails with:

[jensj at jordan lrtddft (master)]$ python part2.py
Traceback (most recent call last):
   File "part2.py", line 4, in <module>
     lr.write('excitations_Na2.gz')
   File "/home/jensj/gpaw/gpaw/lrtddft/__init__.py", line 329, in write
     if self.calculator.wfs.world.rank == 0:
AttributeError: 'NoneType' object has no attribute 'wfs'


Jens Jørgen