[CP2K-user] [CP2K:16803] Printing integrals for GPW setup

Vijay Mocherla vijaysai.mocherla at gmail.com
Tue Apr 5 03:00:06 UTC 2022


I am trying to run some calculations using GPW (gaussian + plane wave) 
basis sets. 

Is there any way to print the one electron and two electron integrals from 
CP2K for specified combination of atom-centered gaussians with plane-wave 
basis sets.



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