[Wien] LDA+U method

Bahram Abedi Ravan bahram_ar at yahoo.com
Tue Oct 12 12:14:05 CEST 2004


Dear wien users,
Hello. I'm trying to calculate some properties of the alloys such as Gd2In and Gd3Pd using WIEN2k. As you know, these  compounds have localized f electrons and the LDA+U method is more siutable for them. I'm already having the 2001 version of WIEN2k and the only place that it asks for the method to be used is in x lstart  and it contains just the three methods GGA(96), LSDA, and GGA(91). Could somebody tell me if the LDA+U is included in this version of the code at all? If it is, how can I use it?
I appretiate your time.
                                                                                                                                                                                                                                  Bahram Abedi Ravan




		
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