[Wien] TELNES and problem of SO

[Peter Blaha]

Check EMAX in case.in1 AND case.inso

Eventually you may also have to increase NUME in SRC_lapws1/param.inc (and recompile).

> 2. In DOS calculation When I include the SO in case.outputtup it can be found 'EMAX reduced due to lower HIGHEST BAND-minimum
>   EMIN, DE, EMAX:  -0.50000   0.00200   0.45250'. The original EMAX is set to be 3.5Ry. What is the problem? If I want to expand the energy range of DOS what shall I do?
>
> Thanks!
> best regards
>
>
>
>
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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