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Dear WIEN users,<br>
Compounds with 5d metals have magnetic properties, but due to the
extended nature of the 5d orbitals the calculations give non-magnetic
results, includding the Hubbard U (Uh). <br>
I have calculated the Uh using the method proposed by G. Madsen and P.
Novak:<br>
<a href="http://www.wien2k.at/reg_user/textbooks/Constraint_U.pdf">
Notes
about constraint LDA calculations to determine U</a><br>
which gives me a small Uh.<br>
To stabilize the magnetic state I need to use an unphysically large Uh.
Any suggestions?<br>
<br>
Is this method suggested by Madsen and Novak accurate?<br>
I have used in other compounds and it seems to give reasonable results,
but these notes are not very clear (I could expand some issues in the
notes to make them clearer).<br>
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