[Wien] Need your help please

[Sikander Azam]

Resp. P.BlahaThanks sir for your kind reply.with best regardssikander  


     On Tuesday, May 5, 2015 5:33 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:
   
 

 In a spin-polarized case, you have to calculate both spins (up and dn), 
before you can run  x lapw2 -up -fermi

Probably this cannot be done directly in xcrysden, but you need to execute

x lapw1 -dn    in a terminal window.

On 05/05/2015 01:40 PM, Sikander Azam wrote:
> Resp. All
> Calculating the Fermi surface, I am facing the following problem, please
> help me.
>
> Error in lapw2
> 'FERMI" -# of k-points in up and down not equal:
> 'FERMI" -k1, 224 225 check INPUTS OF LAPW1
>
> With best regards
> sikander
>
>
>
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-- 

                                      P.Blaha
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