예제 #1
0
파일: test_jhu.py 프로젝트: ExpHP/pymatgen 
 def test_get_kpoints(self):
     si = PymatgenTest.get_structure("Si")
     input_set = MPRelaxSet(si)
     kpoints = get_kpoints(si, incar=input_set.incar)
예제 #2
0
 def test_get_kpoints(self):
     si = PymatgenTest.get_structure("Si")
     input_set = MPRelaxSet(si)
     kpoints = get_kpoints(si, incar=input_set.incar)
예제 #3
0
 def test_get_kpoints(self):
     si = PymatgenTest.get_structure("Si")
     file_name = os.path.join(test_dir, 'INCAR')
     incar = Incar.from_file(file_name)
     kpoints = get_kpoints(si, incar=incar)