The ABINIT Users Mailing List ( CLOSED )

[Stephan Kremers <kremers@physik.rwth-aachen.de>]

Hi,

i have two questions:

1. I plotted the Hartree-Potential (with prtvha). To analyse the _VHA 
file, I used cut3d. There I used some options (like 2) or 5) or 6)) to 
get values for the potential e.g. along a line in the cell. In the 
'/Infos/abinis_help.html' I find the sentence: "These are defined on the 
real space grid in hartree energy units."
Is it really true, that the energetical values for the potentials are in 
'Hartree'?
(In my further studies, these values seems quiet high. It seems, that 
cut3d offers me values in 'eV', but I am not sure...)

2. In the .fhi - pseudopotential files (e.g. the 08-O.GGA.fhi) there is 
a head and then there are 4 data blocks with 473 lines. Can anyone say 
me the reason for the 4 blocks, and also what is written in the 4 columns?
(I read something about the radial component (2nd line) and the other 
two columns I dont find anything)