ao-matrices in binary format

Karl Leikanger kleik... at
Tue Jan 27 13:56:44 UTC 2015


I need to calculate the full FOCK/ KS matrix. What i would like is to dump 
the full matrix to file in binary format. Does anyone here at the forum 
know if this functionality exist in the CP2K code? And otherwise, which 
module/subroutine would have to be modified to do this.

Karl R. Leikanger.

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