[Wien] Electron charge density

[Mamta Chauhan]

Dear user,
 Many thanks for your kind reply. I am getting an error while
selecting rectangular parellelogram

the error is Application error
; error: can't read " isoplane 11": no such element in array.

Kindly help me
With Regards
mamta

On 5/12/13, Rocquefelte <xavier.rocquefelte at cnrs-imn.fr> wrote:
> 1. After the SCF, look at the file case.scf to see the energy position
> of the semicore states
>
> 2. Modify the Emin value in the file case.in2 file in such a way to
> avoid them in the electron charge density calculation.  It should be
> around -1 Ry if I remember.
>
> x lapw2
>
> 3. Follow the procedure proposed by the w2web interface
>
> 4. More details are provided in the userguide
>
> Regards
>
> Xavier
>
>
>
>
>
> Le 5/11/2013 1:20 PM, Mamta Chauhan a écrit :
>> Dear Users,
>>
>> I am calculating electron charge density for the first time for TiC
>> compound. Kindly, suggest me how to remove semi core states in this
>> calculation.
>>
>> With Regards,
>> Mamta
>>
>>
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>