[Pw_forum] Pseudoptential for Nd

Javier Antonio Montoya j.antonio.montoya at gmail.com
Fri May 9 00:11:07 CEST 2008


Dear all,

Is there anyone in the forum who can provide me with a pseudo-potential
(nonlinear core-correction + ultrasoft + PBE) for any of the following
elements?  :  Sm, Nd, Pr, Ce  .  We are running experiments that include
those elements and I could provide feedback on how well those pseudos
reproduce experimental properties, such as vibrational spectra and lattice
parameters at different pressure conditions; in order to include them in the
PWscf.org web page.  Nd is the one that we are going to measure first, so,
getting that one would be cool.

Thanks,

Javier

-- 

Javier A. Montoya
Geophysical Laboratory
Carnegie Institution of Washington
5251 Broad Branch Rd. NW
Washington, DC 20015
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