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

[Samuel Andermatt]

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

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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