[QE-users] pseudopotentials implemented in epsilon.x

patrizio.graziosi at cnr.it patrizio.graziosi at cnr.it
Thu Aug 26 16:12:31 CEST 2021


Hello everybody,

I run an electronic structure calculation using relativistic USPP,  
qe-6.8, after that I run epsilon.x and got the error message that USPP  
are not implemented. However, in the epsilon.x user manual I am not  
able to find which pseudopotentials are implemented, which I'd like to  
know before re-run the calculation.

Here's the question, does someone know which pseudopotentials are  
implemented in epsilon.x?

I guess from here
https://www.paradim.org/sites/default/files/2019-05/Band_Structure_and_UV-VIS_Spectra.pdf
that PZ are supported, but they are not available for all the atomic  
species I'm interested in...

Thanks in advance,
Patrizio














-- 

Patrizio Graziosi, PhD

Research Scientist

CNR - ISMN
Institute for the Study of Nanostructured Materials



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