# Spacing issues about multiple-layer bcc structure

I 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
0.5  0.5  0.01
0    0    0
0.5  0.5 -0.01
0    0   -0.02


the z space should be 1/(2*50) = 0.01?

It seems z-direction spacing has a problem.

• +1 and welcome to the site! We hope to see more of you! I see that you recently joined Math.SE, and I wonder how you found MM.SE? Jul 2, 2022 at 18:09