[Pw_forum] LDA+U calculations to get U and J

[Matteo Cococcioni]

Hi Gianluca,

I seem to remember it didn't make any difference. attached please find a 
tar file with an example of calculation of U of NiO.

Matteo


Gianluca Giovannetti wrote:
> Dear Matteo,
>
> i had a look to the NiO example at the link:
>
> http://www.quantum-espresso.org/wiki/images/f/f4/Handson_ldau.pdf
>
> There, one can find the possibility to look at magnetic system with 
> the flag "magn" in the file resp_mat.in <http://resp_mat.in>.
>
> However resp_mat.f90 has not such variable in the file.
> do i think it wrong?
>
> thank you.
>
> Gianluca
>
>

-------------- next part --------------
A non-text attachment was scrubbed...
Name: example.tar.gz
Type: application/x-gzip
Size: 80681 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100217/7e2274b0/attachment.bin>