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3:22 AM
!freeze
 
 
13 hours later…
4:43 PM
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Q: Spacing issues about multiple-layer bcc structure

MathJackyI am trying to make Hartree potential of bcc Tungsten(001). My software is VASP. 5-layer should have 5 bound states. But I don't have them I heard it is a layer-layer spacing issue. I built slab of bcc structre : POSCAR a1 = a(1 0 0) a2 = a(0 1 0) a3 = a(0 0 50) and with direct, 0 0 0.02 0...

 

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