[Wien] What should be criteria for selection of RMTs?

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Mon Jan 7 09:33:54 CET 2013


> 1. What should be criteria for selecting radius of muffin tin (RMT) of
> any atom in WIEN2k code.

http://www.wien2k.at/reg_user/faq/rmt.html

> 2. How can we choose the  K-point value in WIIEN2k code.

increase, increase, increase,... until your property of interest is 
converged (preferably for a small yet relevant model system).

Stefaan



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