[CP2K-user] [CP2K:19945] How the atomic guess density is calculated?

[mshakiba.k...@gmail.com]

Dear CP2K developers,

Hi, I have a relatively theoretical question about calculation of the 
atomic guess Hamiltonian matrix in CP2K. What I understood from the source 
code, for a system, first the atomic density is computed from the density 
of all the atomic orbitals in the basis set and then, the Hamiltonian is 
computed from this density. However, I did not find any reference in the 
references suggested in the CP2K code. I would really appreciate it if you 
can refer me to a reference about this guess.

Thanks in advance.
Mohammad.

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