[CP2K-user] Print molecular orbitals with LS_SCF

msha...@gmail.com mshakiba.... at gmail.com
Thu Jan 21 07:38:17 UTC 2021

Hello everyone,

I cannot print the molecular orbitals when I use LS_SCF, neither MO_CUBES 
nor MO. Also, I cannot print the PDOS (although with the keyword 
ENERGY_WINDOWS we can see the DOS but not for each atom type). Is there any 
way to print out the molecular orbitals with LS_SCF? 

Thank you very much in advance.
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