[CP2K-user] Plot spin density of HOMO and LUMO

Fernan Saiz fsai... at gmail.com
Thu May 2 10:26:39 UTC 2019

Hello all,
I would like to ask how CP2k can print the spin densities of the HOMO 
and/or LUMO in a cube format of a spin-polarised system. I am not sure if 
the command E_DENSITY_CUBE can do it in combination with other ones.

Best regards,
 - Fernan Saiz, PhD
 Institut de Ciència de Materials de Barcelona (ICMAB-CSIC)
 Bellaterra, Barcelona, 08193, Spain
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