<div dir="ltr">Dear CP2K developers,<div>    Is it possible to use DFT-D3 to calculate the dispersion energies during the classical MD simulations? Because the dispersion term in  <a href="http://manual.cp2k.org/trunk/CP2K_INPUT.html" style="font-family: monospace; text-transform: uppercase;">CP2K_INPUT</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html" style="font-family: monospace; text-transform: uppercase;">FORCE_EVAL</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM.html" style="font-family: monospace; text-transform: uppercase;">MM</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD.html" style="font-family: monospace; text-transform: uppercase;">FORCEFIELD</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED.html" style="font-family: monospace; text-transform: uppercase;">NONBONDED</a>/</div><h2><a href="http://manual.cp2k.org/trunk/index.html#CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/BMHFTD.html" style="color: rgb(0, 0, 0); font-family: Simsun; line-height: normal;">BMHFTD</a><font color="#000000" face="Simsun"><span style="line-height: normal;"> </span></font><span style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; line-height: normal; font-size: 13px;">is similar to Grimme's </span><font size="2"><span style="line-height: normal;">damped empirical correction, one can use the dft-d3 to calculate the dispersion energy and corresponding forces. Could you please give some suggestions? </span></font></h2><div><font size="2"><span style="line-height: normal;"><br></span></font></div><div><font size="2"><span style="line-height: normal;">Best wishes</span></font></div><div><font size="2">JianBiao</font></div></div>