Hi Prof Blaha and Wien2k users,
I am trying to calculate the spin polarized band structure of a
semiconducting supercell with a transition metal impurity.
It works fine when the calculation is performed without spin-orbit interaction
but for spin-orbit it gives me the following error:
You missed a step, see below:
Fhokrul Islam schrieb:
Hi Prof Blaha and Wien2k users,
I am trying to calculate the spin polarized band structure of a
semiconducting supercell with a transition metal impurity.
It works fine when the calculation is performed without spin-orbit
for WIEN2k users
Subject: Re: [Wien] Fermi - Error in Band structure calculation
You missed a step, see below:
Fhokrul Islam schrieb:
Hi Prof Blaha and Wien2k users,
I am trying to calculate the spin polarized band structure of a
semiconducting supercell with a transition metal impurity
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