[Pw_forum] not enough bands
Yonas Abraham
yonasb at yahoo.com
Mon Jan 31 20:34:05 CET 2005
Hi,
I am trying to generate stm image using pwscf and I am
getting this " not enough bands" error.
I run scf and nscf calculations with out any problem.
here is some of the information the pp code spites out
just before it died.
++
nbndx = 90 nbnd = 90 natomwfc = 130
npwx = 2730
nelec = 180.00 nkb = 260 ngl = 9576
Calling punch_plot, plot_num = 5
workfunction = 4.5706 +- 0.3566 eV
without exchcorr = 5.6021 +- 0.0486 eV
Work function written on file workf
Planar mean charge written on file charge
Use the true wfcs
Sample bias = -1.0000 eV
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from stm : error # 1
not enough bands
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
==========
is this mean that I have to have some more empty
bands?
thanx
--yonas
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