Page 1 of 1
Pulay/Broyden mixing
Posted: Fri Jan 14, 2011 3:31 am
by hannathamleena
Can anyone explain what is meant by Pulay/broyden mixing scheme? When should it be used , what is the advantage of the scheme and what are the relevant key words?
Pulay/Broyden mixing
Posted: Fri Feb 04, 2011 3:35 pm
by admin
please have a look at the online VASP manual (users' guide on page
http://cms.mpi.univie.ac.at/CMSPage/main), in particular the chapter Mixing-tags (and the papers referenced therein). The key parameter to choose a particular mixing type is IMIX