[Pw_forum] a question about MnSe

[Duy Le]

On Mon, Jan 24, 2011 at 2:19 AM, Paolo Giannozzi <giannozz at democritos.it> wrote:
>
> On Jan 24, 2011, at 6:42 , mohnish pandey wrote:
>
>>                          I have searched in other literatures also,
>> but did not find anything with PBE functional or in general
>> plane wave DFT. Most of the work is in DFT+U..
>
> this should tell you something...
Right. The DFT+U paper will tell you exactly why they used DFT+U but
the regular DFT and also what are the expected results of using
regular DFT

--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"

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