[Q-e-developers] Information request

[anne etindele]

	Dear all



I got a version of 
Quantum Espresso through  your website, and was so happy to realize
that it also performs all electron atomic calculations by ld1.x and
furthermore to notice that the code provides some excited states. 




I would be interested in
investigating  properties of  atoms (particularly the noble gas and
alkali atoms) trapped in some environments modeled by external
parametric potentials such as  gaussian type potential : 

                                       
                                   

W(r)=-w0exp[-(r-rc)**2/sigma**2]





where w0, rc and sigma are
constants.
I have already succeeded
in  running the ld1 program for free atoms.  I would like to know how
to include the above external potential in the code. As well, I would
like to know whether there are   reference energy values for DFT
computation from your code. 




I look forward to hearing
from you.
 With kindest regards.

----------------------------------------------------
Anne Justine ETINDELE
PhD student in
Atomic Physics
 Faculty of Science, University of Douala
 B.P.
24157 Douala
Cameroon
Phone : (+237) 95 16 27 01 (Cel.)
E-mail
: annetindele at yahoo.fr




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