[Wien] error in mbj

[tran at theochem.tuwien.ac.at]

Hi,

There are one or two reasons why this can happen. Some explanations
are given in pages 207-208 of the user's guide. Maybe they will help
you:
www.wien2k.at/reg_user/textbooks/usersguide.pdf‎

F. Tran

On Sun, 20 Oct 2013, Amine Slassi wrote:

> hi,
> I made a calcule scf with mbj for a systeme with doping. but i found a
> problem in lapw1. the error appears when the scf close to converge.
> 
> lapw1.error
> 'select' - no energy limits found for atom 5 L=1
> 'select' -E- bottom  -2.32207 E-top -200.000
> 
> 
> please help me
> 
> cordialy
> 
>