[Pw_forum] LDA+U calculations

[Gianluca Giovannetti]

Dear All,

i would like to know how LDA+U works for a non magnetic system in PW.

cheers,

G.

On Mon, Feb 22, 2010 at 4:22 PM, Gianluca Giovannetti <
gianluca.giovannetti at gmail.com> wrote:

> Sorry. it stands for  "mean-field".
>
> cheers,
>
> Gianluca
>
>
> On Mon, Feb 22, 2010 at 4:19 PM, Gabriele Sclauzero <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                             |
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