Dear Xavier
thank you very much for your reply.
Actually, I have repeated the calculations again. I see the spectra are almost
same for 2000 and 3000 kpoints but still there is a significant change in the
spectra for 9 kpoints.
how can I explain it? furthermore, when you said 2000, 3000 kpo
On 10/01/2013 11:24 AM, ali ghafari wrote:
Actually, I have repeated the calculations again. I see the spectra are
almost
same for 2000 and 3000 kpoints but still there is a significant change
in the spectra for 9 kpoints.
As Xavier indicated in his PS, it almost certainly means that someth
Dear Prof. Stefaan Cottenier and wien2k user,
I have a basic question regarding the hyperfine field calculations.
Although we
get the core and valence contribution (orbital and spin-dipolar in u+so
cases) to
the hyperfine fields, how do I get the shell decomposed values; i.e. 1s,
2s, 3s etc values
I have a basic question regarding the hyperfine field calculations.
Although we get the core and valence contribution (orbital and
spin-dipolar in u+so cases) to the hyperfine fields, how do I get the
shell decomposed values; i.e. 1s, 2s, 3s etc values.
Bluger and company have calculated the sh
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