[Pw_forum] LDA+U calculations

[Gabriele Sclauzero]

Gianluca Giovannetti wrote:
> Sorry. it stands for  "mean-field".

I suspected...

So your question is not much clear to me...

PWscf implements standard DFT with the usual approximations to the XC functional (LDA, 
GGA,...)

Or are you maybe referring to AMF (around-mean-field) for double counting in LDA+U?


GS


> 
> cheers,
> 
> Gianluca
> 
> On Mon, Feb 22, 2010 at 4:19 PM, Gabriele Sclauzero <sclauzer at sissa.it 
> <mailto:sclauzer at sissa.it>> wrote:
> 
> 
> 
>     Gianluca Giovannetti wrote:
>      > Dear All,
>      >
>      > i`m performing LDA+U calculations on a non magnetic state (NM).
>      > This is my input file:
>     [...]
>      >
>      > i`m wondering how in PW the MF approximation is enforced in NM case.
> 
>     Please, can you tell me what does MF stand for?
> 
> 
>     Thanks,
> 
> 
>     GS
> 
> 
>      > Can you give me some details?
>      >
>      > thank you.
>      >
>      > Gianluca
>      >
>      >
>      >
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o ------------------------------------------------ o
| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
|        via Beirut 2-4, 34014 Trieste (Italy)     |
| email: sclauzer at sissa.it                         |
| phone: +39 040 3787 511                          |
| skype: gurlonotturno                             |
o ------------------------------------------------ o