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[rgiro@macbeth.if.usp.br]

Dear all,

I am performing a band structure calculation on a molecular crystal with
90 atoms. There are 124 occupied energy levels. In order to obtain the
information of the high occupied band (valence band and conducting band) I 
need
at least nband=125. With this
value for nband the necessary memory is to large, more than 8 GB of memory
considering a energy cutoff (ecut= 20 Ha). Is there a way to compute only the
highest occupied and lowest unoccupied band with nband keyword, for example
nband from energy level 115 to 135? The purpose is to save memory and hard
disc.

Most appreciations for your kind reply and help.


Sincerely
Ronaldo Giro

Department of Mechanical and Materials Physics
Institute of Physics - University of São Paulo - São Paulo - Brazil
email: rgiro@macbeth.if.usp.br