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<div dir="ltr"><font color="#0000ff" size="2" face="Tahoma">Hi!</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma"></font> </div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">How do you calculate the lattice energies for molecular crystals?</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">For example, I have a system of alpha-glycine crystals (for example, a slab of 420 crystalline molecules).</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">Each unit cell has 4 glycine molecules.</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">How do I calculate its lattice energy (i.e. the energy to bring the molecules from infinity into the lattice)?</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">Should I include the LJ(SR) and Coulomb(SR) terms?</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma"></font> </div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma"></font> </div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">Regards,</font></div>
<div dir="ltr"><font color="#0000ff" size="2" face="tahoma">Adam</font></div>
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