[Pw_forum] PH_DFT+U_Occupation Matrix

[IYAD AL-QASIR]

Hello Paolo,

One more thing, I was looking at phonon.f90 ( QE version 4.3.) There is a
comment says
! Not implemented in ph.x:
  ! [6] [5] + constraints on the magnetization
  ! [7] [6] + Hubbard U
  ! [8] [7] + Hybrid functionals
  ! [9] ? + External Electric field

Could you explain?
Thanks


On Fri, Nov 25, 2011 at 6:09 PM, IYAD AL-QASIR <iyad.ne at gmail.com> wrote:

> Thanks Paolo,
> Does that mean only the latest versions of (QE) Phonon code support DFT+U.
> I am using QE version 4.0.3 because this is the only version compatible
> with EPW code (Electron-Phonon with Wannier 90).
>
> Thanks again.
>
>
>
> On Fri, Nov 25, 2011 at 4:13 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
>
>>
>> On Nov 25, 2011, at 18:50 , IYAD AL-QASIR wrote:
>>
>> > 1- Does QE support phonon calculations with DFT+U?
>>
>> http://www.democritos.it/pipermail/pw_forum/2011-April/019992.html
>>
>> P.
>> --
>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
>>
>>
>>
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>
>
>
> --
> _______________________________
> IYAD I. AL-QASIR, PhD
> Research Associate
>
> Department of Nuclear Engineering
> North Carolina State University
> Campus Box 7909
> 2500 Stinson Dr.
> Raleigh, NC 27695-7909
>



-- 
_______________________________
IYAD I. AL-QASIR, PhD
Research Associate

Department of Nuclear Engineering
North Carolina State University
Campus Box 7909
2500 Stinson Dr.
Raleigh, NC 27695-7909
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