[CP2K-user] [CP2K:16803] Printing integrals for GPW setup
Vijay Mocherla
vijaysai.mocherla at gmail.com
Tue Apr 5 03:00:06 UTC 2022
Hello,
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.
Thanks,
Vijay
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