[CP2K-user] [CP2K:17351] which subroutine calculates the nonlocal pseudopotential?

Andy ang.dionysos.gao at gmail.com
Fri Jul 22 06:23:50 UTC 2022


I was going through the *qs_ks_build_kohn_sham_matrix* subroutine, but I 
did not find the code which integrates the nonlocal part of the 
pseudopotential into the Kohn-Sham matrix. Can someone please point out the 
relevant code which handles the nonlocal pseudopotential to me? 

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