Some comments on inp file:


3.0 0.0 U, J
16 150000 Beta , Nsweep
-1.0 0.0 Ef, def
1.0 Znm (Not used if def=0)
0 20 1 ir, iscfm, iout
0.5 0.0005 alpha,small
T newFourier (T or F)
F

TBDOS (T or F)

T == tight-binding DOS is read from TBdos.in file, F==SC DOS

 

U the Hubbard U
J the spin interaction (not used in SU(N) approximation)
beta inverse temperature
Nsweep number of sweeps used in QMC computations, as higher as better
Ef the chemical potential
def defines the scheme to search for the chemical potential (def .NE.0) or to adjust number of particles to given chemical potential def=0
Znm filling when one searches for the chemical potential
ir = 0 way to start the program : ir=0 -- start computation from given g0init.XXX and Sigma=0; ir=1 -- start computation from given g0init.XXX and Sigma prom previous run.
iscfm number of self-consistent runs
iout defines verbosity of the program (0 -- minimum, 1 -- maximum)
alpha the mixing parameter in the linear mixing scheme
small the precision when the program stops
newFourier (T or F) used to choose Fourier transformation scheme (T --new, F -- old)
F,T defines whcih DOS to use: semicircular DOS (F) or tight-binding (T) in the calculations

Last updated @ April 15, 2002