Hi
To calculate Volume Optimization, I follow the procedure set out in page 28
of
the user guide, but I get no graphics.
I use Wien2k_11.
What is correct procedure?
Thanks
Jos? A. Camargo
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get no graphics.
I use Wien2k_11.
What is correct procedure?
Thanks
Jos? A. Camargo
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Dear all,
I have the following fundamental questions coming to my mind
when recently doing Wien2k SOC calculations:
Is the SOC contribution in a DFT calculation negative definite?
Or more precisely speaking, is E_{noSO} - E_{SO} always 0 ?
I just realize that the above statement seems to be
Dear all,
I would like to calculate for simulation of RXES following matrix element:
i|d|f
where i is a core state, d is a dipole operator and f is a final state.
As far as I understand, I can calculate only square of this matrix element
|i|d|f|^2 using TETRA and XPEC as
|i|d|f|^2 = DOS * M
where
Hi,
I have a version of the optic program that can do this for s and p cores
states.
Robert
On Friday 06 May 2011 14:27:31 Nikolay wrote:
Dear all,
I would like to calculate for simulation of RXES following matrix element:
i|d|f
where i is a core state, d is a dipole operator and f is a
Dear Robert,
thanks a lot for the quick answer.
I am interested in p cores.
Is it standard version of the OPTIC program or your own modification?
If so, sould you please provide it somehow?
My e-mail address is smolentsev at mail.ru
Best regards,
Nikolay
Fri, 6 May 2011 14:42:25 +0200 ?? ??
/attachments/20110506/38d0ea9b/attachment.htm
at msu.edu
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It would be very easy to modify XSPEC or TELNES to produce the
quantity you want.
cheers,
Kevin
2011/5/6 Huolin Xin hx35 at cornell.edu:
Hi Robert,
I am interested in this code as well.
On Fri, May 6, 2011 at 8:42 AM, Robert Laskowski
rolask at theochem.tuwien.ac.at wrote:
Hi,
I have
and Astronomy Department, Michigan State University,
East Lansing, Michigan, 48824, US.
Email: dodat at msu.edu
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