Dear Konstantin,
photoelectron spectra provide binding energies of different states.
The energy of the order of 1000 eV in the photoelectron spectra
you refer to comes about because the corresponding core level,
where the electron is emitted from, is that deep (below the Fermi energy).
Therefore yo
Dear Stefaan,
Thanks for the suggestion. My calculation failed within 10 iterations.
In some cases, it failed at the zeroth iteration by printing out
L2main: QTL-B error. So I had to change case.in1 manually. But for
other cases, it failed after the 3rd iteration, which motivated me to
try
Dear Prof Blaha and Wien users,
I wish calculate x-ray emission photoelectron spectrum of Cobalt.
In Handbook x-ray spectorskopy J. Moulder at al. 1995 there is experimental
x-ray spectrum for Cobalt. I see, that experimental energies are upto 1200
eV (for example 2s has about 900 eV or 2p1/
> We are writing an interface code between Wien2k and Wannier90 .
>
> In our implementation we need to Alm(k) and Blm(k) coefficients that
> are the coefficients of Apw+lo wave function .
>
> We know that those coefficients are written in Case.almblm file.
>
> But are those coefficients multip
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