[CP2K-user] [CP2K:18141] Buckingham potential in CP2K
elephant gogogo!
qumingzizhemenan at gmail.com
Fri Dec 2 22:17:14 UTC 2022
[image: 243121670019018_.pic.jpg]
Hello everyone, I have found this potential in the literature, I have found
BMHFTD in NONBONDED(FIST) very suitble. I have found the last 2 terms,
Vdisp can be found in the red block. The Vpol can be setted as DIPOLE. But
how can I set the first 2 terms?
[image: 243131670019294_.pic.jpg]
Thank you very much!
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