The ABINIT Users Mailing List ( CLOSED )

[George Pau <gpau@MIT.EDU>]

Hi ABINIT users,

I have 2 questions regarding the specifics of the ABINIT code:

1. I would like to know how ABINIT compute its core correction, more 
specifically the reference (containing the exact formulation) used by ABINIT. 
 
If you can tell me which .f file in ABINIT calculates that term, it would be 
most helpful as well.

2.  I obtained the local pseudopotential Vlpsp by subtracting the V_HXC from 
V_POT (where I have suppressed the nonlocal pseudopotential term).  Now, is 
the correction to Vlpsp(G=0) =constant (since in computation, we set 
Vlpsp(G=0) =0) included when the potential are being written to a file?  Does 
ABINIT shift the Vlpsp first before computation, or is the constant term 
added to the final energy computation? In which part of the code is the 
correction added?

Thanks,
George