[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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