Resp. P.BlahaThanks sir for your kind reply.with best regardssikander
On Tuesday, May 5, 2015 5:33 AM, Peter Blaha
<pbl...@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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