The ABINIT Users Mailing List ( CLOSED )

[Orlin Blajiev <blajiev@vub.ac.be>]

Hi,

I try to produce some output with macroave. I have a feeling that for 
some input files (DEN, POT, VXC type) the results are OK, but for VHA 
and VHXC they are not. If somebody has some experience could you please 
look into the graphical output I send.

Here is the macroave.in
Abinit            # Which code have you used to get the input data?
Charge           # Which is the input data used to compute the band offset?
cu2oslabo_*             # Name of the file where the input data is stored
2                 # Number of convolutions required to calculate the m
4.1         # First length for the filter function in macroscopic average
4.2
294               # Second length (not needed)
spline            # Type of interpolation


Best regards,
Orlin Blajiev

--
Orlin Blajiev
Department of Metallurgy, Electrochemistry and Materials Science
Faculty of Applied Science 
Vrije Universiteit Brussel
Pleinlaan 2, B-1050 Brussels
Belgium 

http://wwwtw.vub.ac.be/meta/

tel.: 32-(0)2-6293538
fax : 32-(0)2-6293200