hfx_type: full_ks_alpha

Andrey andrey.l... at gmail.com
Fri Feb 25 18:36:57 UTC 2011

Dear CP2K developers,

The hfx_type contains   following matrices
     REAL(dp), DIMENSION(:), POINTER          :: full_ks_alpha
     REAL(dp), DIMENSION(:), POINTER          :: full_ks_beta

These matrices are used for HFX (integrate_four_center) calculations
and stored in the qs_env%x_data%... variable.

However I did not find where they are initialized.

Could you please explain me what is their purpose?
If I want to calculate EXX kernel, what should I put into them?

Thanks in advance for your reply,

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