[CP2K-user] [CP2K:18934] Na DZVP-MOLOPT-SR-GTH-q1 Zn DZVP-MOLOPT-SR-GTH-q20 help needed

[Emma Rossi]

Dear CP2K developers and users,

I would like to run standard ab intio molecular dynamics with DFT-BLYP 
using DZVP-MOLOPT-SR-GTH basis set.

I would like to keep explicit only 1 valence electron for Sodium atoms, 
while 20 valence electrons for Zinc atoms. 
These calculations are needed to test the computational cost as a function 
of the number of explicit electrons. 

I found the proper GTH pseudopotential (Goedecker-Teter-Hutter 
Pseudopotentials (htmlpreview.github.io 
<https://htmlpreview.github.io/?https://github.com/cp2k/cp2k-data/blob/master/potentials/Goedecker/index.html>), 
but I cannot find anywhere the basis set 
DZVP-MOLOPT-SR-GTH-*q1* and DZVP-MOLOPT-SR-GTH-*q20* for Sodium and Zinc 
respectively (I only found the basis set reported here  
 https://github.com/misteliy/cp2k/blob/master/tests/QS/BASIS_MOLOPT ).

I would be grateful to anyone who could help me.

Thank you very much in advance.

Best regards,
Emma Rossi

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