[Pw_forum] Pseudopotentials

Alessandro Bencini alessandro.bencini at unifi.it
Sun Jun 29 11:30:04 CEST 2008


Hi All,

I'm new to this mailing list. I' trying to run QE calculation for 
magnetic structure of transition metal clusters.Has anyone a working 
example of input for ld1.x to generate a pseudopotential for copper?
Have you also some comments on the importance of including l=3 
wavefunctions for transition metals?

Thanks,
Alessandro

-- 
___________________________________________________
Alessandro Bencini 
Dipartimento di Chimica 
Polo Scientifico dell'Università di Firenze 
via della Lastruccia, 3 50019 Sesto Fiorentino (FI) 
tel: 00390554573271 
fax: 00390554573372 



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