[Wien] semicore band range too large

[Peter Blaha]

Use sphere sizes as determined by our  setrmt utility.

On 10/08/2014 10:05 AM, Mh Mi wrote:
> Dear all
>
> I'm working on magnetic heusler alloys include Co,Ni,Fe,Ga.
> When I calculate volume optimization ,get the semicore band ranges too
> large in 2nd volume.
> I use muffin tin spheres  Co,Fe,Ni=2a.u. , Ga=2.2a.u. ,and energy
> separation between core and valence=-6Ry.
> Please help me for this error.
>
> Best Regards
> Leyla
>
>
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                                       P.Blaha
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