Coverage for gpaw/test/rpa/test_rpa_energy_Na.py: 100%

1import pytest 

2from gpaw import GPAW 

3from gpaw.xc.rpa import RPACorrelation 

4from gpaw.mpi import serial_comm 

5 

6 

7@pytest.mark.rpa 

8@pytest.mark.response 

9def test_rpa_rpa_energy_Na(in_tmp_dir, gpw_files): 

10 calc = GPAW(gpw_files['na_pw'], communicator=serial_comm) 

11 ecut = 120 

12 rpa = RPACorrelation(calc, txt=f'rpa_{ecut}s.txt', ecut=[ecut]) 

13 E = rpa.calculate() 

14 assert E == pytest.approx(-1.106, abs=0.005)