Re: [SIESTA-L] Doubt on LDA+U

2010-01-13 Por tôpico Marcos VerĂ­ssimo Alves
Muchas gracias, Jose! One less thing to worry about on exploration studies (although I have already performed them - it'll save me the work of analyzing all the data, though :) )... Marcos On Wed, Jan 13, 2010 at 8:53 PM, Jose A. Torres wrote: > Dear Marcos: > > I have confirmed with the develop

Re:[SIESTA-L] Doubt on LDA+U

2010-01-13 Por tôpico Jose A. Torres
Dear Marcos: I have confirmed with the developer of that part (Daniel Sanchez) and his answer is: Yes, the same Ueff will give the same final results. The current implementation follows the work of Dudarev et. al. The plan is to change it for a more rigorous implementation in a future, though.