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[Lilia Boeri <lilia@pil.phys.uniroma1.it>]

Dear all abinitioners,

I was practicing with the Alchemical Psps - abint version 3.4.2 
- and after some succesful efforts I noticed something disappointing.
As long as I use only alchemical pseudoatoms everything seems to work
fine, but when I try using alchemical and pure pseudoatoms
I have some problems.

What happens to me is that while pure atoms have the correct charge,
alchemical pseudoatoms seem to be treated as if they had zero charge. This
is an example of input file:

--------------------------------------------
natom 2
ntype 2
type 1 2
xred              
                  
   0.0  0.0  0.0     
   0.25 0.25 0.25    
npsp 3


zatnum 42 14 8

ntypalch 1
npspalch 2
mixalch 0.0 1.0
--------------------------------------------
The array "occ" in the output file is as follows:


 2.000000  2.000000  2.000000  0.000000
i.e., it contains only 6 electrons, instead of 8. 
-------------------------------------------
I am sure I missed something... 
can anybody help me?

-- 
Lilia Boeri
e-mail: lilia@pil.phys.uniroma1.it