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?
Or my approach is totally wrong.
Any suggestions.
Suddhasattwa Ghosh
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In case you wonder that there is no t2g state:
Pnma has only twofold rotational axes (+inversion + 3 mirrorplanes),
and the point group of Gamma (D2h) has no triply degenerate irreducible
representation.
the three dxy, dxz, dyz basis functions belong to the representations b1g, b2g,
b3g, respecti
Hello,
the original results from S?derlind were obtained including both spin-orbit
coupling and spin/orbital polarization, whereas you chose not to do so. In
order to "reproduce" the results, you should make sure that you use the
identical theoretical approach, otherwise you are comparing two t
Dear Dr. Chatterjee,
1. Wien2k is supposed to work on any Linux distribution.
2. in Fedora csh is just a symbolic link to tcsh, you should not worry
about this issue.
regards,
Yurko
2010/1/6 Dr Aruna Chatterjee :
> Dear All Wien2k users,
> Wishing you all a very happy 2010.
> Now I want to put tw
Dear Michael,
Thanks for the suggestions.
I want to go step by step as is generally suggested in Wien2k.
I did the volume optimization for the case when it is not with spin orbit
coupling.
However, I did not know that the difference would be so much.
Suddhasattwa Ghosh
-Original Message
Hello,
I can see your point, but I strongly recommend you to get acquainted with the
program using more simple examples, like the ones discussed in the UG, before
attacking the complex problems you are actually interested in. In the end, you
will have a much better understanding of the code, an
Can you please provide a way of testing/documenting this. I might have
it (or might not), and more information would be useful particularly a
way to reproduce it.
On Fri, Dec 11, 2009 at 6:45 AM, David Tompsett wrote:
> Dear All,
>
> I recently wrote to the list facing problems with strange eigen
Dear Prof. Blaha and Wien2k users,
I have a problem using XCrysDen in w2web remotely.
From local host, I use the web-browser to connect to w2web in the
remote machine, by
safari http://hostname_where_w2web_runs:7890
and open a session successfully.
However, when I click "view structure" on t
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