[Wien] Prob in LSTART

[Peter Blaha]

You cannot run the O with a RMT=0.24 bohr!

O          NPT=  781  R0=0.00010000 RMT=    0.2400   Z:  8.0

Nirpendra Singh schrieb:
> Dear wien users
>                   I had gotten an error (written below) in LSTART
> 0.268u 0.008s 0:04.40 5.9%    0+0k 0+920io 0pf+0w
> ERROR !!! nstop,iter,tets,test 362 3 9.999999974752427E-007
> You have to change your atomic configuration in ZnCr2O4.inst
> I have also attached the struct file in this mail. after reading few 
> mails in mailing list still I am unable to fix the problem.
> waiting your reply/suggestion
> Thanking you
> 
> best the regards
> nsingh
> 
> -- 
> Dr. Nirpendra Singh
> Department of Physics and Institure of Basic Science
> Sungkyunkwan University
> Suwon-440746
> Republic of Korea
> 
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------