[Wien] Bandstructure not matching DOS

[Torsten Andersen]

Did you input the correct Fermi energy to Spaghetti?

If yes, we need some more information... conducting how? Just a few 
bands crossing the Fermi level, or did the gap disappear?

Best regards,
Torsten Andersen.

Moises Iglesias Gonzalez wrote:

>   Dear WIEN users and developers:
>
>We are currently developing some LDA+U calculations on a semiconductor
>using WIEN2k_03. After convergence with RKm=7 and 60 points (IBZ), we
>tried to calculate DOS and bandstructures. DOS curves look fine
>(semiconductor) but when doing bandstructure, we find conducting
>behaviour. 
>
>We have checked the digest and this question was answered some months ago.
>This answer had to do with improvement of the basis set but this does not
>seem to work for us. Do we have to improve it even more? 
>
>The procedure we followed to calculate bandstructure after the scf-cycle
>was:
>
>x lapw1 -up -orb
>x lapw1 -dn -orb
>
>is this correct? 
>Any other suggestions are welcome. Thanks in advance.
>Regards.
>
>M. Iglesias
>
>--
>Moises Iglesias (Ph.D. Student)     Electromagnetism-Applied Physics 
>34-981-563100 Ext: 14020      15706 Santiago de Compostela-A Corunha (Spain) 
>    ****** famoises at usc.es --- http://faelec9b.usc.es/moises  ******
>
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>  
>

-- 
Dr. Torsten Andersen
Department of Physics, Condensed Matter Theory Group, Uppsala University
UU-WWW: http://www.fysik4.fysik.uu.se/    TA-WWW: http://deep.at/myspace