[Wien] TiC-example SCF error

[Peter Blaha]

Your struct file looks partly ok, but it still has "zero" symmetry 
operations listed.

If this is the struct file whith which you run the scf cycle, it must fail.

Your initialization was not complete. Maybe you "forgot" to click on 
some of the buttons during initialization (view tic.outputs ???)

Redo the initialization.

On 03/19/2015 06:50 AM, Khandmaa TS wrote:
> Dear all.
>
> I'm a new user of WIEN2k. I installed WIEN2k
> 13.1. in ubuntu 14.04.I tried to run the TiC example as per the Quick
> Start instructions in the User's Guide. But it doesn't work. I tried
> to run SCF cycle and I got the following this error:
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP LAPW2: semicore band-ranges too large
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
>
>>   stop errorError in LAPW2
>   'LAPW2' - semicore band-ranges too large,
> ghostbands ?
>
>
> Please help me!
>
> Regards,
> Khandmaa Tsagaanaa
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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