ABINIT Discussion Forums

I am going through the GW tutorial with v5.7.3. The first tutorial completed; however, the dielectric constant and dielectric constant without local fields were reported in the *.out file as

"dielectric constant= ********"
"dielectric constant without local fields= ******"

Really have no idea as to how to remedy this phenomenon. Any suggestions?

Regards,
Kyle

Input file please?

Fabien

Oops. Sorry, Fabien. Thank you for your attention. Kyle

# SiGW
ndtset 3
#
nbandkss1 -1
nband1 9
istwfk *1
#
optdriver2 3
getkss2 -1
nband2 17
ecutwfn2 2.1
ecuteps2 3.6
ppmfrq2 16.7 eV
#
optdriver3 4
getkss3 -2
getscr3 -1
nband3 30
ecutwfn3 5.0
ecutsigx3 6.0
nkptgw3 1
kptgw3
-0.125 0.000 0.000
bdgw3 4 5
#
acell 5.398 5.398 5.398 Angstr
angdeg 60 60 60
chkprim 0
ecut 8.0
ionmov 0
nkpt 128
kptopt 1
ngkpt 4 4 4
nshiftk 4
shiftk 0.5 0.5 0.5
0.5 0.0 0.0
0.0 0.5 0.0
0.0 0.0 0.5
symmorphi 0
nstep 50
ixc 4
nband 6
nsppol 1
ntypat 1
natom 2
nsym 1
symrel 1 0 0 0 1 0 0 0 1
occopt 1
prtden 1
diemac 12.0
iscf 5
toldfe 0.000001 Hartree
typat 1 1
xred 0 0 0
0.25 0.25 0.25
znucl 14
#

What system do you calculate?
Is it a weird phase of silicon? So is it a metal?
If so, the dielectric constant is very large and does not fit the format in Fortran. This can explain the "****".

Cheers,

Fabien

I was thinking that the "****" was manifested due to Fortran and huge dielectric constant values, just needed someone else's input. Thank you, Fabien, for assisting me on this matter. I need to go back and re-define my system. Regards.