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 RegardsLeyla
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