[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
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___________________________________________________
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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