[CP2K-user] [CP2K:20920] Charge distribution mapping in cp2k
Sujon Mitro
sujonmitrophysics at gmail.com
Tue Nov 26 21:54:45 UTC 2024
Dear all,
I would like to calculate the bonding nature of a periodic/non-periodic
system. I believe charge density mapping could provide valuable insights
into this observation. However, I currently lack experience with the cp2k
code for this purpose.
Could you please guide me on how to proceed with this calculation using
cp2k?
Alternatively, if there are other ways that might be suitable for analyzing
the bonding nature, I would greatly appreciate your suggestions.
Thank you in advance for your support and guidance!
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