[Wien] GaAs: error SCF!!

Lyudmila V. Dobysheva lyu at otf.pti.udm.ru
Thu Nov 11 10:31:44 CET 2010


> Attached to the mail sending GaAs.struct, GaAs.in1 and GaAs.in1c
> 09 Nov 2010 20:26:10 Jose Alfredo Camargo Martinez wrote:
> > forrtl: severe (24): end-of-file during read, unit 5, file
> > /home/sork/WIEN2k/GaASI/GaASI.in1
> > Check GaAs.struct, I'm almost sure it is correct.

Dear Jose,

Your struct and in1c files look o'k. 
As Peter wrote to you your system did not recognize the complex case and 
started "run_lapw" instead of "run_lapw -c", so it demanded file in1 instead of 
in1c. 
A sign of this is diagnostic "invalid null command".
This happens in some LINUX versions, ask your system administrator why this 
occur (in my case I had to change bsd-csh to tcsh).

Best wishes
Lyudmila Dobysheva
------------------------------------------------------------------
> Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
> 426001 Izhevsk, ul.Kirova 132
> RUSSIA
> ------------------------------------------------------------------
> Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax)
> E-mail: lyu at otf.fti.udmurtia.su
>         lyuka17 at mail.ru
>         lyu at otf.pti.udm.ru
> http://fti.udm.ru/content/view/25/103/lang,english/
> ------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 



More information about the Wien mailing list