os.chdir(path)
gutz_model_setup(
eps_c=eps_c,
dtype=numpy.float,
u=2.0,
iembeddiag=-2,
)
if path_old is not None:
shutil.copy(f"../{path_old}/GLog.h5", "./")
path_old = path
driver_cygutz(path=os.environ['WIEN_GUTZ_ROOT'],
cygtail=get_cygtail(),
rmethod="hybr",
tol=1e-6, # norm
)
with h5py.File("GLog.h5", "r") as f:
r = f["/impurity_0/R"][::2,::2].T
nelect = f["/"].attrs["nelectrons"]
emodel = f["/"].attrs["etot_model"]
with h5py.File("GIter.h5", "r") as f:
err = f["/v_err"][()]
maxerr = numpy.max(numpy.abs(err))
shutil.copyfile("GLog.h5", f"GLog_{eps_c:.2f}.h5")
z = r.T.conj().dot(r)
w, v = numpy.linalg.eigh(z)
frec.write(f"{eps_c:.4f} {emodel:.4f} {nelect:.4f} {w[0]:.4f}" +\
f" {v[:,0]} {maxerr:.2e}\n")
frec.flush()
os.chdir(path)
gutz_model_setup(
eps_c=eps_c,
dtype=numpy.float,
u=2.0,
iembeddiag=41,
)
if path_old is not None:
shutil.copy(f"../{path_old}/GLog.h5", "./")
path_old = path
driver_cygutz(
path=os.environ['WIEN_GUTZ_ROOT'],
cygtail=get_cygtail(),
rmethod="excitingmixing",
tol=1e-2, # norm
)
with h5py.File("GLog.h5", "r") as f:
r = f["/impurity_0/R"][::2, ::2].T
nelect = f["/"].attrs["nelectrons"]
emodel = f["/"].attrs["etot_model"]
with h5py.File("GIter.h5", "r") as f:
err = f["/v_err"][()]
maxerr = numpy.max(numpy.abs(err))
shutil.copyfile("GLog.h5", f"GLog_{eps_c:.2f}.h5")
z = r.T.conj().dot(r)
w, v = numpy.linalg.eigh(z)
frec.write(f"{eps_c:.4f} {emodel:.4f} {nelect:.4f} {w[0]:.4f}" +\
f" {v[:,0]} {maxerr:.2e}\n")
frec.flush()
