[CP2K-user] general normconserving UPF in CP2K

Michiel van Setten mjvan... at googlemail.com
Mon Dec 17 10:40:06 UTC 2018

Dear community,

I have seen some keywords concerning the use of UPF pseudo potentials in 
CP2K, I however did not manage to figure out if this means cp2k can use 
general normconserving UPF pseudopotentials. 

I would like to make some pseudopotentials with different amounts of 
valence electrons for some elements. Since I have some experience in 
generating ONVPSP pseudo potentials, for me the easiest would generate 
ONCVPSP's and use them in CP2K, either in upf format or, as a second 
option, via a conversion into HGH format. 

If any one has some experience, it would be very welcome, reasons why this 
would be a bad idea would be equally welcome ;-)

many thanks,
Michiel van Setten

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