[Pw_forum] [Help] I need a NC pseudopotential (PBE) of Ca with 10 valence electrons

[Paolo Giannozzi]

Hui Wang wrote:

> I need a NC pseudopotential (PBE) of Ca with 10 valence electrons,

once upon a time (3 years ago) I generated one (more exactly, two).
Whoever asked for it (I don't remember any longer who) never reported
whether it was working or not. Here are the input. Use at your risk.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: ca.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091110/7d24955d/attachment.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: casp1.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091110/7d24955d/attachment-0001.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: casp1-test.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091110/7d24955d/attachment-0002.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: casp2.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091110/7d24955d/attachment-0003.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: casp2-test.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091110/7d24955d/attachment-0004.ksh>