[Wien] core leakage error

[Gavin Abo]

I don't remember seeing that error before with BiFeO3.  Are you using an 
old WIEN2k version?  If so, upgrade to the latest version.  Are you sure 
you entered the structure parameters into StructGen correctly?  The 
common problem in the past seemed to be that users would enter the 
structure parameters for it in the wrong setting for the R spacegroup 
lattice [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10677.html 
, 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10690.html ].

On 3/5/2016 11:42 AM, Qasim Mahmood wrote:
>
> Respected wien2k users i am trying to run the calculations of BiFeO3, 
> during initialization core leakage error occur , I try to do even with 
> energy -9.0 instead of -6.0 but fail......then i also try by verying 
> RMT but then overlaping error ...please help me who i can overcome 
> this error..........
> Regards*/
>
> Mr.Qasim Mahmood
> /*
> */Ph.D Schollar, PU,Lahore,Pakistan/*
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