[Wien] [SPAM?] uranium RMT radius problem

[saeid pourmasoud]

Dear all
I am working on an uranium based compound using the latest version of the wien2k code. 
In the “How to select RMT radii” section of the FAQ, it is recommended that, “For actinides,... don't use radii larger than about 3.0 a.u., even when space allows.”.
However, in the Phy. Rev B 70, 134506 paper, for the RMT radius of uranium 3.2 a.u. was used, which is larger than the above recommended value.
We also in agreement with the above paper have found that the charge leakage after running lstatrt could be reduced, if the larger value of 3.2 a.u. was used for the RMT.
Would you please help us to figure out whether we can use a larger value than 3 a.u. at all in contrast to the above recommendation or we should take the leakage as the physical criterion into account?
leakage for RMT=3.2 a.u  is 0.000067
leakage for RMT=3 a.u is 0.000190
 Best regards,
S. Pourmasoud.


      
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