Magnetic properties using CP2K

[Henrique Junior]

Thank you for your very useful reply. I'll take a look.


Em quarta-feira, 24 de junho de 2015 08:37:58 UTC-3, Henrique Junior 
escreveu:
>
> 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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