[Wien] Ghostbands ; thanks now it works
Gerhard H Fecher
fecher at uni-mainz.de
Wed May 11 18:21:24 CEST 2005
Thanks for youre fast reply,
sorry I should have checked the FAQ, it was just because I did the same
calculation already and was wondering.
Ciao Gerhard
Am Mittwoch, 11. Mai 2005 17:09 schrieb Stefaan Cottenier:
> >Is there any problems with Ghostbands in newer Versions of Wien2k that
> did not
> >take place in older Versions ? I was calculating for Pt but lapw2
> stopped with an
> >error message:'l2main' - QTL-B.GT.7., Ghostbands, check scf files. I
> am wondering
> >as I did the same calculation 1/2 year ago without any error ?
>
> The newest version is just a bit more suspicious about using appropriate
> linearization energies. Check the FAQ
> http://www.wien2k.at/reg_user/faq/qtlb.html
>
> Stefaan
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