[Pw_forum] pseudopotential rare earths

Gianluca Giovannetti gianluca.giovannetti at gmail.com
Mon Jul 19 14:23:52 CEST 2010


Dear All,

i want to look at systems like R-Mo2-O7 R being rare hearths elements.

the physics of the system should be governed by Mo d levels so probably i
can make pseudo-potentials of R even if DFT is not fully working for R.

i wanted to ask to have the inputs file of La (is is present in the web
page) in order to have a look at them.
this would be useful as i`m not really expert in making pseudos.

may i have it? is there someone having it?

do you have good advices to give me before i start to look at this?

thank you in advance.

cheers,

Gianluca Giovannetti
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