[Wien] Ghostbands

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Wed May 11 17:09:43 CEST 2005


 >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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