[Wien] Charge density for particular k and eigenvalue

[Lukasz Plucinski]

Dear Prof. Blaha,

Thank you -- this should solve my problem.

Lukasz




Peter Blaha wrote:
> If the particular eigenvalue is far enough away from everything else,
> just specify EMIN EMAX for the E-range in lapw2 to calculate the
> charge density just from eigenvalues within this range.
>
> Eventually you have to recalculate this single k-point alone (lapw1 with
> modified case.klist) and then select the E-window in lapw2.
>
>
> Lukasz Plucinski schrieb:
>   
>> Hello,
>>
>> I have calculated surface electronic structure using large slab. I can 
>> see 2 surface states and I would like to see what is the difference 
>> between them.
>>
>> Can I use Tasks/El.Dens. to get charge density related to the particular 
>> k and eigenvalue ?
>>
>> Regards,
>>
>> Lukasz
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>>     
>
>