def test_zbrent(self):
h = VaspErrorHandler("vasp.zbrent")
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["zbrent"])
i = Incar.from_file("INCAR")
self.assertEqual(i["IBRION"], 1)
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["zbrent"])
i = Incar.from_file("INCAR")
self.assertEqual(i["EDIFF"], 1e-6)
self.assertEqual(i["NELMIN"], 6)
shutil.copy("INCAR.orig", "INCAR")
h = VaspErrorHandler("vasp.zbrent")
h.vtst_fixes = True
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["zbrent"])
i = Incar.from_file("INCAR")
self.assertEqual(i["IBRION"], 1)
self.assertEqual(i["EDIFF"], 0.0004)
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["zbrent"])
i = Incar.from_file("INCAR")
self.assertEqual(i["EDIFF"], 1e-6)
self.assertEqual(i["NELMIN"], 6)
self.assertEqual(i["IBRION"], 3)
self.assertEqual(i["IOPT"], 7)
self.assertEqual(i["POTIM"], 0)
shutil.copy("INCAR.ediff", "INCAR")
h = VaspErrorHandler("vasp.zbrent")
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["zbrent"])
i = Incar.from_file("INCAR")
self.assertEqual(i["IBRION"], 1)
self.assertEqual(i["EDIFF"], 1e-6)
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["zbrent"])
i = Incar.from_file("INCAR")
self.assertEqual(i["EDIFF"], 1e-7)
self.assertEqual(i["NELMIN"], 6)
