Coverage for gpaw/test/noncollinear/test_GGA.py: 100%

1import pytest 

2from ase import Atoms 

3from gpaw import GPAW 

4 

5 

6def test_noncollinear_GGA(): 

7 a = Atoms('H', [[0, 0, 0]], magmoms=[1]) 

8 a.center(vacuum=2.5) 

9 a.calc = GPAW(mode='pw', 

10 xc='PBE', 

11 symmetry='off', 

12 txt=None, 

13 experimental={'magmoms': [[0, 0.5, 0.5]]}) 

14 with pytest.raises(ValueError, match='Only LDA supported'): 

15 a.get_potential_energy()