[Pw_forum] Orthogonalization

Stefano de Gironcoli degironc at sissa.it
Sat Mar 20 12:46:30 CET 2010


google is your friend. search for  Loewdin (or L\"{o}wdin) 
orthogonalization.
stefano

Jiri Houska wrote:
> Hello,
> I understand that when running a projwfc.x calculation, the orbitals  
> are orthogonalized first. However, I realized that I do not understand  
> HOW the orthogonalization is performed. Please can anyone write the  
> basic principle(s) of that, or alternatively a link where is it  
> explained? Thanks!
> Jiri Houska
> University of West Bohemia
>
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