[Wien] FERMI ERROR

[Peter Blaha]

You have to remove the line:
  1   -4.23      .0001      atom number,e-lo,de (case.in1), repeat NX

On 05/02/2017 10:31 AM, Chukwuemeka Okoye wrote:
> Dear Wien Users,
> I am running a spin -orbit calculation in which I removed  RLO as shown
> in case.inso below:
> WFFIL
>  4  1  0                      llmax,ipr,kpot
>  -12.0000   3.50000           emin,emax (output energy window)
>    0.  0.  1.                 direction of magnetization (lattice vectors)
>  0                           number of atoms for which RLO is added
>  1   -4.23      .0001      atom number,e-lo,de (case.in1), repeat NX times
>  2 1 2                        number of atoms for which SO is switch
> off; atoms
> Then the following:
>
> LAPW0 END
>  LAPW1 END
> LAPWSO END
> FERMI - Error
>
>>   stop error
> When RLO is added, the job runs without any hitch.
> Please, I need your kind assistance to overcome this challenge.
>
> Chukwuemeka Okoye
>
> /------------------------------
> Chukwuemeka M I *Okoye*
> /
> /Department of Physics and Astronomy,
> /
> /University of Nigeria,
> /
> /Nsukka, Enugu State,
> /
> /Nigeria/
> Telephone: +234 7038766990
> E-mail: cmi.okoye at unn.edu.ng <mailto:cmi.okoye at unn.edu.ng>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
--------------------------------------------------------------------------