Dear Wien2k users,
I want to simulate the properties of a
structure which is attached herewith. It has a monoclinic lattice & I have
tried to change Beta to Gamma, b to c & y to z. However, this shifting
changes the structure totally & exhibits a different XRD pattern t
No, without SO there is no spin-mixing. They are absolutely independent
of each other.
Put a k-point into case.klist_band; x lapw1 -up -band; x lapw1 -dn
-band; x lapw2 -up -band; x lapw2 -dn -band
and you can plot the spin-density of this k-point using xcrysden or x
lapw5 -up with the pr
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