Dear wien2k developers and users
I am interested in studying a compound GdH2,25.
I use an open core treatement
I change the energy parameter of the f-electrons in GdH22,5.in1 file to
something like -1.0 Ry to avoid to be found the 4f-states by the lapw1, see the
link:
3 -1.00
Le Mercredi 29 janvier 2014 13h39, zahia ayat a écrit :
Dear wien2k developers and users
I am interested in studying a compound GdH2,25.
I use an open core treatement
I change the energy parameter of the f-electrons in GdH22,5.in1 file to
something like -1.0 Ry to avoid to be found
Please
what are the steps used for GGA+U ?
Because i need to use it.
thank you
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