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[<chengdaojian@gmail.com>]

Dear All,

I want to get effective atomic charges and apply them in my molecular dynamics
simulation.  So I should use the  prtden to print the density and deal it 
with 
AIM(Bader).  My case is the PAW (usepaw=1) calculation using  ABINIT version
v5.6.  However,  from version v5.7, it is possible to  output the full 
physical
density in PAW using the input variable pawprtden. 
My questions:
1) Should I re-calculate my case using  ABINIT version v5.7?  
2) How to get effective atomic charge of each atom using AIM(Bader)? The
AIM(Bader) can display the Bader charge of each atom.

Any help will be greatly appreciated.

Daojian Cheng

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Address: Physique des Solides Irradiés et des Nanostructures, 
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tel +32-2-650.57.36, fax +32-2-650.52.27
E-mail: chengdaojian@gmail.com; dcheng@ulb.ac.be
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