[Wien] Ghost band or not?(QTL-B VALUE .EQ. 5.36192 !!!!!!)

[Peter Blaha]

>    QTL-B VALUE .EQ.    2.36945   !!!!!!

This small QTL-B value does NOT mean a "ghostband". It is ment as warning only.

Basically the calculations are ok, however, these QTL-B gives you an
indication that the energy parameters / lo settings are not "optimal".

Eventually you may try the option    runsp -in1new 1

But when you do this, please read the UG and the  mails related to in1new
in the mailinglist.

Regards
                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------