def test_311_n1_high_cost(self):
L = 7.0
n = 9
cell = make_test_cell.test_cell_n1(L, [n] * 3)
nk = (3, 1, 1)
hf_311 = -0.92687629918229486
cc_311 = -0.042702177586414237
escf, ecc = run_kcell(cell, n, nk)
self.assertAlmostEqual(escf, hf_311, 9)
self.assertAlmostEqual(ecc, cc_311, 6)
def test_111_n1(self):
L = 7.0
n = 9
cell = make_test_cell.test_cell_n1(L,[n]*3)
nk = (1, 1, 1)
hf_111 = -0.73506011036963814
cc_111 = -0.023265431169472835
escf,ecc=run_cell(cell,n,nk)
self.assertAlmostEqual(escf,hf_111, 9)
self.assertAlmostEqual(ecc, cc_111, 6)
def test_311_n1(self):
L = 7.0
n = 9
cell = make_test_cell.test_cell_n1(L,[n]*3)
nk = (3, 1, 1)
hf_311 = -0.92687629918229486
cc_311 = -0.042702177586414237
escf,ecc=run_cell(cell,n,nk)
self.assertAlmostEqual(escf,hf_311, 9)
self.assertAlmostEqual(ecc, cc_311, 6)
def test_111_n1(self):
L = 7.0
n = 9
cell = make_test_cell.test_cell_n1(L, [n] * 3)
nk = (1, 1, 1)
hf_111 = -0.73506011036963814
cc_111 = -0.023265431169472835
escf, ecc = run_kcell(cell, n, nk)
self.assertAlmostEqual(escf, hf_111, 9)
self.assertAlmostEqual(ecc, cc_111, 6)
def test_311_n1(self):
L = 7.0
ngs = 4
cell = make_test_cell.test_cell_n1(L, ngs)
print "cell gs =", cell.gs
nk = (3, 1, 1)
hf_311 = -0.92687629918229486
cc_311 = -0.042702177586414237
escf, ecc = run_kcell(cell, ngs, nk)
self.assertAlmostEqual(escf, hf_311, 9)
self.assertAlmostEqual(ecc, cc_311, 6)
def test_111_n1(self):
L = 7.0
ngs = 4
cell = make_test_cell.test_cell_n1(L, ngs)
# print "cell gs =", cell.gs
nk = (1, 1, 1)
hf_111 = -0.73506011036963814
cc_111 = -0.023265431169472835
escf, ecc = run_kcell(cell, ngs, nk)
self.assertAlmostEqual(escf, hf_111, 9)
self.assertAlmostEqual(ecc, cc_111, 6)