[CP2K-user] how to use a long range corrected functional that is not a hybrid functional?
Mohammad Shakiba
mshakiba.... at gmail.com
Fri Jul 3 06:34:44 UTC 2020
Hello,I was wondering if it is possible to use a long range corrected
functional in cp2k that is not a hybrid functional. I see there is a
functional option PBE_HOLE_TC_LR. My questions are: is this a hybrid
functional? And can it be used with TD-DFPT calculations? Also, can hybrid
functionals be used with TD-DFPT in cp2k?
Please let me know which LR functionals are available to be used with
TD-DFPT in cp2k. Also, is it possible to provide a sample input for such?
Thank you so much for your time and energy.
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