Coverage for gpaw/test/utilities/test_elf.py: 100%
9 statements
« prev ^ index » next coverage.py v7.7.1, created at 2025-07-08 00:17 +0000
« prev ^ index » next coverage.py v7.7.1, created at 2025-07-08 00:17 +0000
1import pytest
3from gpaw.new.ase_interface import GPAW
4from gpaw.elf import elf_from_dft_calculation
7@pytest.mark.parametrize('name', ['h2_fd', 'bcc_li_pw'])
8def test_elf(gpw_files, name):
9 dft = GPAW(gpw_files[name]).dft
10 e_R = elf_from_dft_calculation(dft)
11 print(e_R.data.min())
12 print(e_R.data.max())