Coverage for gpaw/test/pw/test_fftmixer.py: 100%

1from ase import Atoms 

2from gpaw import GPAW 

3from gpaw.mixer import FFTMixer 

4from gpaw import PW 

5import pytest 

6 

7 

8def test_pw_fftmixer(): 

9 bulk = Atoms('Li', pbc=True, 

10 cell=[2.6, 2.6, 2.6]) 

11 k = 4 

12 bulk.calc = GPAW(mode=PW(200), 

13 kpts=(k, k, k), 

14 mixer=FFTMixer(), 

15 eigensolver='rmm-diis') 

16 e = bulk.get_potential_energy() 

17 assert e == pytest.approx(-1.98481281259, abs=1.0e-4)