[Wien] QTL-B VALUE

[Torsten Andersen]

Dear Dr. Vasseur,

it doesn't have to mean ghostbands... you would have to check that more 
thoroughly. Have a look at a response Peter gave on the 17th of February 
(attached).

Best regards,
Torsten Andersen.

arnaud.vasseur at caramail.com wrote:
> Dear Wien users. I am doing slab calculation on MoO3 (100) surface generated from the orthorhombic (Pnma) MoO3 structure. My slab has the P 21/m (unique axis C) symmetry. When I perform scf calculation I get the following message: QTL-B VALUE EQ. 1.92245 !!!!!!!!!!. Is this mean that I have ghost bands? Or I have to add local orbital as suggested by the manual? Can some one give me a hint please? A. vasseur
> 
> 

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/
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Subject: Re: [Wien] QTL-B VALUE
Date: Tue, 17 Feb 2004 09:12:52 +0100 (CET)
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