Re: Spin Polarization and Spin Density in CP2K, Can it do ?

Samuel Andermatt samuel.a... at
Mon Jan 26 08:34:48 UTC 2015

2. If you want the spin density, add the LSD keyword to the DFT section of 
the input file and:
      &E_DENSITY_CUBE MEDIUM (if your print level in the global section is 

3. If you want the Hirschfeld charges, they should be in the output file by 
default, at least with the newest version of CP2k (2.6).
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