READING DATA
|
Hamiltonian
|
ham.dat
|
|
Overlap matrix
|
olp.dat
|
|
Brillouin zone data
|
bz.dat
|
|
Space group data
|
grp.dat, wig.dat
|
|
Auxiliary index pointer
|
idx.dat
|
|
Structure constants
|
Sk.dat
|
|
Overlap coefficients
|
olap.dat
|
|
Correlation index
|
cix.dat
|
|
Double-counting matrix
|
dcount.dat
|
|
Sigma_inf
(HF) matrix
|
siginf.dat
|
|
|
INITIALIZATION
|
Rotaion
matrix
|
|
Orthogonalization
of the Hamiltonian
|
|
Orthogonalization
of the overlap matrix
|
|
Initialization of the local overlap matrix
|
|
Initialization of the effective local
overlap matrix
|
|
Normalization of the Hamiltonian
|
|
Normalization of the overlap matrix
|
|
|
Main PROGRAM
|
The self-energy reading (sig.dat)
|
|
The self-energy initialization
|
|
Diagonalization
of H+S
|
|
Computation of ATM wight
factors
|
|
Computation of DOS
|
|
Output of DOS
|
|
Computation of GF
|
|
Computation of Weiss GF
|
|
Output of GF and Weiss GF
|
|
Computation of high-frequency coefficients
(Taylor
expansion)
|
|
|
