[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
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