[Wien] the total energy from GGA+U calculations

[f.tran at pci.uzh.ch]

You can have a look at these papers:
http://prb.aps.org/abstract/PRB/v84/i4/e045115
http://prb.aps.org/abstract/PRB/v85/i15/e155208

-----wien-bounces at zeus.theochem.tuwien.ac.at wrote: -----
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
From: "Rolando Larico Mamani" 
Sent by: wien-bounces at zeus.theochem.tuwien.ac.at
Date: 12/13/2012 03:13PM
Subject: [Wien] the total energy from GGA+U calculations

Dear wien2k users,

Can we reliable in the total energy from GGA+U calculations to obtain  
the formation energies?

  With regards,


--
Rolando L. Mamani
Universidade de São Paulo
São Paulo-SP, Brasil.

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