Dear Prof. Blaha and wien2k users,
In userguide and in forum it is described that optic program can be used
for XMCD calculation. Could anyone please tell me if EMCD calculation is
possible in wien2k. The only difference between XMCD and EMCD is instead of
x-ray in XMCD we need to use electron
Yes, it's enough to choose PBEsol during init_lapw.
The important is that the correct potential is selected
in case.in0 (first line).
On Mon, 25 May 2015, Seyyed Amir Abbas Emami wrote:
​Dear wien2k users
I am using WIEN2k_12.1. I want to use PBEsol potential in my calculation. As i
know,
EMCD calculations have been done using WIEN2k [1, 2].
[1] http://arxiv.org/abs/0704.1407v1
[2] http://www.chiraltem.physics.at/Workshop2_Rusz.pdf
On 5/25/2015 1:53 AM, Santu Baidya wrote:
Dear Prof. Blaha and wien2k users,
In userguide and in forum it is described that optic program can be
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