[Q-e-developers] erratum in a pseudopotential in Espresso web page

"José C. Conesa" jcconesa at icp.csic.es
Sat Mar 14 12:04:56 CET 2015


Dear QE developers,
I have found that the Y.pbe-nsp-van.UPF pseudopotential file accesible 
through QE web page gives as name of the element Yt, not Y - which leads 
to error if one tries to apply DFT+U method since element Yt is unknown 
by set_hubbard_l.f90 and tabd.f90. You should correct that mistake in 
this file.
Regards,

-- 
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. (+34)915854766

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