[Pw_forum] XSpectra and US or PAW pseudos?

[Lorenzo Paulatto]

On Monday, August 31, 2015 11:49:28 AM Adrian Hühn wrote:
> How do I correctly include a reference state to a pseudopotential from
> the PSlibrary?
> 

At the beginning of the .UPF file you normally find a copy of the input used 
to generate it, you can then regenerate the pseudo adding reference 
information for GIPAW (ask further if you need help about this). 

About PAW dataset not being compatible, I think they can be if you generate 
them with the use_paw_as_gipaw=.true. keyword, but I leave the final word to 
experts or to testing .

regards

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
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