[CP2K-user] [CP2K:16910] pseudo-potential with new partition of core and valence electrons

Yongnian Qi yunai238471 at gmail.com
Tue May 3 10:11:08 UTC 2022


Dear experts,
I have tried to model the high temperature behavior of silicon, using a 
different pseudo-potential, which treats the 2s and 2p as valence electrons 
as well. However, I cannot find this kind of pseudo-potential, and the 
pseudo-potential created by ATOMPAW only support ABINIT and QE code. Can 
you give me some suggestions? any help will be of great appreciate.
Best regards,
Yongnian, Qi

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