def dos1d_ewindow(h,
energies=np.linspace(-1., 1., 30),
delta=None,
info=False,
use_green=True,
nk=300):
"""Calculate the density of states in certain eenrgy window"""
ys = [] # density of states
if delta is None: # pick a good delta value
delta = 0.1 * (max(energies) - min(energies)) / len(energies)
if True: # do not use green function
from dosf90 import calculate_dos # import fortran library
import scipy.linalg as lg
kxs = np.linspace(0., 1., nk)
hkgen = h.get_hk_gen() # get hamiltonian generator
ys = energies * 0.
weight = 1. / (nk)
for ix in kxs:
hk = hkgen(ix) # get hk hamiltonian
evals = lg.eigvalsh(hk) # get eigenvalues
ys += weight * calculate_dos(evals, energies,
delta) # add this contribution
if info: print("Done", ix)
write_dos(energies, ys) # write in file
return
def dos2d_ewindow(h,energies=np.linspace(-1.,1.,30),delta=None,info=False,
use_green=True,nk=300,mode="adaptive"):
"""Calculate the density of states in certain eenrgy window"""
ys = [] # density of states
if delta is None: # pick a good delta value
delta = 0.1*(max(energies) - min(energies))/len(energies)
if use_green:
from green import bloch_selfenergy
for energy in energies:
(g,selfe) = bloch_selfenergy(h,nk=nk,energy=energy, delta=delta,
mode=mode)
ys.append(-g.trace()[0,0].imag)
if info: print("Done",energy)
write_dos(energies,ys) # write in file
return
else: # do not use green function
from dosf90 import calculate_dos # import fortran library
import scipy.linalg as lg
kxs = np.linspace(0.,1.,nk)
kys = np.linspace(0.,1.,nk)
hkgen= h.get_hk_gen() # get hamiltonian generator
ys = energies*0.
weight = 1./(nk*nk)
for ix in kxs:
for iy in kys:
k = np.array([ix,iy,0.]) # create kpoint
hk = hkgen(k) # get hk hamiltonian
evals = lg.eigvalsh(hk) # get eigenvalues
ys += weight*calculate_dos(evals,energies,delta) # add this contribution
if info: print("Done",ix)
write_dos(energies,ys) # write in file
return
def dos1d_ewindow(h,energies=np.linspace(-1.,1.,30),delta=None,info=False,
use_green=True,nk=300):
"""Calculate the density of states in certain energy window"""
ys = [] # density of states
if delta is None: # pick a good delta value
delta = 0.1*(max(energies) - min(energies))/len(energies)
if True: # do not use green function
from dosf90 import calculate_dos # import fortran library
import scipy.linalg as lg
kxs = np.linspace(0.,1.,nk)
hkgen= h.get_hk_gen() # get hamiltonian generator
ys = energies*0.
weight = 1./(nk)
for ix in kxs:
hk = hkgen(ix) # get hk hamiltonian
evals = lg.eigvalsh(hk) # get eigenvalues
ys += weight*calculate_dos(evals,energies,delta) # add this contribution
if info: print("Done",ix)
write_dos(energies,ys) # write in file
return