def subdiagonalize_bfs(self, bfs):
self.initialize()
bfs = np.array(bfs)
p = self.input_parameters
h_pp = p['h']
s_pp = p['s']
ht_pp, st_pp, c_pp, e_p = subdiagonalize(h_pp, s_pp, bfs)
c_pp = np.take(c_pp, bfs, axis=0)
c_pp = np.take(c_pp, bfs, axis=1)
return ht_pp, st_pp, e_p, c_pp
def subdiagonalize_bfs(self, bfs, apply=False):
self.initialize()
bfs = np.array(bfs)
p = self.input_parameters
h_mm = p['h']
s_mm = p['s']
ht_mm, st_mm, c_mm, e_m = subdiagonalize(h_mm, s_mm, bfs)
if apply:
self.uptodate = False
h_mm[:] = ht_mm
s_mm[:] = st_mm
# Rotate coupling between lead and central region
for alpha, sigma in enumerate(self.selfenergies):
sigma.h_im[:] = np.dot(sigma.h_im, c_mm)
sigma.s_im[:] = np.dot(sigma.s_im, c_mm)
c_mm = np.take(c_mm, bfs, axis=0)
c_mm = np.take(c_mm, bfs, axis=1)
return ht_mm, st_mm, e_m.real, c_mm