<div dir="ltr">Hi,<br>I have run BSSE calculation for the first time and got the following in the output:<br><br> -------------------------------------------------------------------------------<br> -                                                                             <br> -                                 BSSE RESULTS                                <br> -                                                                             <br> -                 CP-corrected Total energy:     -358.330897                  <br> -                                                                             <br> -                 1-body contribution:               -341.096202                  <br> -                 1-body contribution:               -17.223444                  <br> -                                                                             <br> -                 2-body contribution:               -0.011251                  <br> -                 BSSE-free interaction energy:       -0.011251               <br> -------------------------------------------------------------------------------<br><br>Now I want to understand what every line exactly means. Could someone please suggest best reference on how cp2k calculates BSSE so that I can understand the output?<br><br>Thanks,<br>eftrsd<br></div>