[Wien] MBJLDA potential

[Peter Blaha]

The mBJ potential will not be released in the next version. It is not 
yet in a state where it can be used by a general user.

PS: This potential is a "local" potential (not orbital dependent), so it 
is applied to all electrons and in all space (MT and interstital). It 
does its job similar to LDA+U, but works also very well for normal 
semiconductors.
Combining it with LDA+U is meaningless.

Unfortunately, there's no related  "energy" !

Yurko Natanzon schrieb:
> Dear Prof. Blaha,
> Could you please inform, if the public availability of MJBLDApotential (as described in F. Tran & 
P. Blaha, PRL 102, 226401) inWien2k is planned?As far as I understood, 
this potential is applied to
both MT-spheresand the interstitial region, as it is orbital 
independent. Will it bealso possible
to use orbital dependent funtionals (e.g. LDA+U, EECE)in combination 
with MJBLDA?
> Thank you in advance for your kind reply
> PS Sorry, if you receive this message twice, my mail provider hasinformed me that it was unable to send it for some reasons.
> --Yurko (aka Yuriy, Iurii, Jurij etc) NatanzonPhD studentDepartment for Structural Research (NZ31)Henryk Niewodniczański Institute of Nuclear PhysicsPolish Academy of Sciencesul. Radzikowskiego 152,31-342 Krakow, PolandE-mail: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com
> 
> 
> -- Yurko (aka Yuriy, Iurii, Jurij etc) NatanzonPhD studentDepartment for Structural Research (NZ31)Henryk Niewodniczański Institute of Nuclear PhysicsPolish Academy of Sciencesul. Radzikowskiego 152,31-342 Krakow, PolandE-mail: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com_______________________________________________Wien mailing listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien