Concerning a), I believe you should ignore the "error" as not relevant (at
least that is what I was told).
For b), I believe the extend potential is an experimental feature, I would
not use it.
For c), are you using a core hole (full or patial)? Is your hole spin
polarized? You will get a
I'm not an expert on telnes3, but some comments below.
The WIEN2k 19.1 usersguide [1] on page 202 has:
/case.vtotal (I). Total crystal potential (can be generated by lapw0).
Read if EXTEND POTENTIAL is used./
From that statement, I suppose it means that after a spin-polarized
calculation
Dear Wien2k experts and users,
Recently, I’m calculating the EELS spectra of a spin-polarized system (LuFeO3
related material) using Wien2K 19.1. I followed the guide in the manual but
some errors happened and I can’t figure out how to solve it.
(a) After invoking ‘x tenels3 -up’, there was a
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