UT theoretical chemistry code forum

Hello,
I was looking at the code for diminit.pl. In the comments of the code, it says that it generates a single-image dimer. If my understanding of the code is correct that means it doesn't make a midpoint but instead uses your original structure and one offset structure. Is that understanding correct and if so, which reference goes through this method?
Thank you,
Alec

Hi Alec,
That script will generate a POSCAR configuration at the center of the dimer and then a direction along the dimer in the DISPLACECAR_sp file. So to say this a different way, the dimer will be centered at the POSCAR and aligned along the unit vector in DISPLACECAR_sp.

Thank you for the help!