[ase-users] NameError: global name 'get_monkhorst_pack_size_and_offset' is not defined when pbc=False

[Zhenhua Zeng]

Hi Macin,

I'm trying to do a few extra calculations using Niflheim and my 
gpaw.9203. The the slab calculations, i.e. pbc=(1,1,0), seem fine. But 
when I calculate a atom or molecule in a box with pbc=0, it always gives 
the NameError: global name 'get_monkhorst_pack_size_and_offset' is not 
defined (even when I do dry-run). Do you know the reason?

You can find a example in the directory 
/home/camp/zhze/calc/Atoms_Molecules/Sulphur/test

Thanks!
Zhenhua