[gpaw-users] hartree potential and LCAO coefficients

[Ondřej Krejčí]

Dear GPAW developers,



I would like to know, if there is some way in the gpaw, how to get Hartree 
potential or valence-Hartree potential from GPAW? I guess that get_effective
_potential() gives you potential with included XC corrections.




I have a second question, whether in the LCAO mode is there some possibility
how to obtain LCAO coefficients for each band, atom, orbital momentum and 
spin? The projection to Gaussian as it is in get_projections() or real-space
wave-function - get_pseudo_wave_function() - is not something I'm looking 
for.




Thank you for your answers!

Sincerely

Ondrej Krejci
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