[QE-users] Expectation values of total angular momentum in SOC case

[Paolo Giannozzi]

On Thu, Jan 23, 2020 at 5:00 PM Thomas Brumme <thomas.brumme at uni-leipzig.de>
wrote:

Or is there something missing in the PAW case which is not important for
> US-PP?
>

if you regularly get 1/2 for norm-conserving / ultrasoft and  less than
that with PAW, it is very likely that there is something missing in the PAW
case

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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