[Wien] rutile DOS

[Rocquefelte]

One more comment.You do not need to rerun lapw1 (and particularly you 
should not change Emax to better see semi-core or core levels).
You just need to rerun TETRA after changing Emin in the input file of 
TETRA (case.int).

Hope that this explanation will help you to better figure out how DOS 
calculations are realized.

Regards

Xavier

Liberti, Emanuela a écrit :
>
> Dear Wien2k users and developers,
>
> I  am running Wien2k_08 using a Windows XP terminal and connecting to 
> a Linux server using Putty and Cygwin.
>
> I am calculating the DOS of TiO_2 rutile using the /w2web/ interface.
>
> The calculated DOS is provided in the energy range -10 -- 15 eV, 
> whereas the lowest valence bands ( -17 eV) are not displayed. I 
> increased the energy range in case.in1 (as suggested in the FAQ's), 
> rerun the SCF and tetra via interface and nothing changed.  
>
> Can you please help me?   
>
> With kind regards,
>
> Emanuela Liberti
>
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>
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