def __read_file(self,filename):
data = general.read_file_as_table(filename)
nrelectrons,nrkpoints,nrbands=[int(x) for x in data[5]]
kpoints=[]
energies=[]
#Not so nice to read
for kpointfirstline in [7+kpoint*(nrbands+2) for kpoint in range(nrkpoints)]:
kpoints.append([float(x) for x in data[kpointfirstline][:3]])
energies.append([float(x[1]) for x in data[kpointfirstline+1:kpointfirstline+nrbands+1]])
return nrelectrons,nrkpoints,nrbands,numpy.array(kpoints),numpy.array(energies)
def __read_file(self, filename):
data = general.read_file_as_table(filename)
nrelectrons, nrkpoints, nrbands = [int(x) for x in data[5]]
kpoints = []
energies = []
#Not so nice to read
for kpointfirstline in [
7 + kpoint * (nrbands + 2) for kpoint in range(nrkpoints)
]:
kpoints.append([float(x) for x in data[kpointfirstline][:3]])
energies.append([
float(x[1]) for x in data[kpointfirstline + 1:kpointfirstline +
nrbands + 1]
])
return nrelectrons, nrkpoints, nrbands, numpy.array(
kpoints), numpy.array(energies)
def __read_file(self,filename):
dataraw=general.read_file_as_table(filename)
latticeconstant=float(dataraw[1][0])
data=np.array(dataraw[2:5]).astype(np.float)
self.lattice_vectors=LatticeVectors(data,latticeconstant)
