[Wien] error in uplapw1.error file

Gavin Abo gsabo at crimson.ua.edu
Sun May 10 18:46:37 CEST 2015


Your scf calculation is probably non-complex, so you have to remove the 
'-c'.

On 5/10/2015 10:24 AM, saurabh samant wrote:
> Dear WIEN2k users,
>
> I am doing a spin-polarized mBJ calculation with SO as given in UG. 
> After the calculation converged successfully, I was trying to plot the 
> bandstructure after creatiing klist_band by giving the following command:
> x lapw1 -band -up -c which gave the following error in uplapw1.error file:
>
> Error in LAPW1
>  'INILPW' - can't open unit: 5
>  'INILPW' -        filename: fecr2s4mbj.in1c
>  'INILPW' -          status: old          form: formatted
>  'LAPW1' - INILPW aborted unsuccessfully.
>
> Sir, Plz help to resolve this problem.
>
> Thanking You,
> Yours sinjcerely
> Saurabh Samanta
> Ph.D. candidate


More information about the Wien mailing list