[Pw_forum] problem about magnetic properties

[zafar rasheed]

Dear Sir,
pseudopotential is in another directory. I use path. But this probleum is due missing setting in set_ hubbarad_ l and tabed file present in PW.
Any help will be appriciated

Muhammad Zafar
PhD Scholar
 Department of Physics
 The Islamia University of Bahawalpur,Pakistan


> Dear Pwscf Users
>
> I want to calculate magnetic properties of ZnTe and ZnSe. But  this error
occurs.
>
> ++++++++++++++++++++++++++++++++++++++++++++
>  from set_hubbard_l : error #         1
>      pseudopotential not yet inserted
> +++++++++++++++++++++++++++++++++++++
>
> error occur. I know that I have to do some changing in
/PW/set_hubbard_l.f90 and tabed.f90
> by putting
>
> ===========================================
> ! ... other elements
>      !
>      CASE( 'H' )
>         !
>         hubbard_l =  0
>         !
>      CASE( 'C', 'N', 'O', 'S', 'Se', 'Te' )===== here i think that I m
doing some thing wrong but what?
>         !
>         hubbard_l =  1
>         !
>             CASE DEFAULT
>         !
>         hubbard_l = -1
>         !
>
>               WRITE( stdout, '(/,"psd = ",A,/)' ) psd
>         !
>
=============================================================================
>
> but  same error occurs.
>
> Last time I have do this perform some calculation but now i forget this
change and I do not write it any where. Would any body help me to correct
this file.
>
> Muhammad Zafar
> PhD Scholar
> Department of Physics
> The Islamia University of Bahawalpur,Pakistan
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120629/6856b1f4/attachment.htm 

------------------------------

_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum


End of Pw_forum Digest, Vol 60, Issue 47
****************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120629/6d32dea2/attachment.html>