[Wien] Subject : RMT Problem

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Fri May 24 14:21:39 CEST 2013


> Kindly give comment on my issues related to RMTs.
> when I am trying to find out smallest RMTs for compound then I found
> RMT of heavier  atom is less then the lighter atom (Is it right or
> wrong). Can we take same RMTs for both atoms. Kindly suggest me.

A good start is the info at http://www.wien2k.at/reg_user/faq/rmt.html

If your structure makes sense (no atoms at unreasonably short 
distances), then you can trust the suggestions by setrmt_lapw in nearly 
100% of all cases.

Stefaan




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