a question on Hubbard model for Gd in Fe
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prithwish
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a question on Hubbard model for Gd in Fe
I want to do a calculation for Gd in Fe matrix using PBE+U method. Is it possible to adopt hubbard model for Gd alone and for rest part of the system only PBE PP based calculation?
Last edited by prithwish on Sat Jun 06, 2009 6:48 am, edited 1 time in total.
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support_vasp
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Re: a question on Hubbard model for Gd in Fe
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