[Wien] the total energy from GGA+U calculations

2012-12-13 Thread f.t...@pci.uzh.ch
by: wien-bounces at zeus.theochem.tuwien.ac.at List-Post: wien@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,

[Wien] the total energy from GGA+U calculations

2012-12-13 Thread Rolando Larico Mamani
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 S?o Paulo S?o Paulo-SP, Brasil. This message was sent using I