[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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 



More information about the Wien mailing list