[Wien] TiC-example SCF error

[Peter Blaha]

You have done something (everything ?) wrong.

Why did you install WIEN2k_13.1 ??? This is a very old version.

Most likely, your struct-file is wrong.
Maybe you mixed Ang and Bohr for the lattice parameters ...?

Am 19.03.2015 um 06:50 schrieb Khandmaa TS:
> 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
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------