Magnetic properties using CP2K
Henrique Junior
henri... at gmail.com
Wed Jun 24 11:37:58 UTC 2015
Hi, I'm new to cp2k but I have some experience with ORCA and NWchem.
My work is related to molecular magnetism in solid state chemistry for my
Masters degree and I have reached a point that I need to describe my
systems like a solid instead of a gas (like what I'm doing with ORCA and
NWChem). Here are my questions:
- Is there a GUI to help creating inputs (like Gabedit)?
- Is there a module to perform broken symmetry calculations (like
BrokenSym and FlipSpin in ORCA)?
- Since I'm interested in magnetic properties, dows cp2k have any nice
features specific for this field?
Thank you in advance
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