[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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