[CP2K-user] c_radius variable in qs_neighbor_lists.F

[Wei Lai]

Dear users and developers,

I am trying to understand a variable "c_radius" inside qs_neighbor_lists.F

Lines 746-747 of the DFTB part read:

            c_radius = 0.5_dp*SQRT(-LOG(3.5_dp*alpha**3*1.e-12_dp))/alpha
            CALL pair_radius_setup(orb_present, orb_present, c_radius, 
c_radius, pair_radius)

I am trying to understand why this is hard-coded, its physical meaning, and 
why it is related to the Ewald parameter.

Thanks, Wei
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