Spectrum Calculations

[jess_white]

Hi,

I was wondering if VASP supports spectrum calculations and if so what TAGS should be added into the INCAR? I did some research and it looks like it is LOPTICS? Is that correct?

Many thanks,
Jess

[pedro_melo]

Dear Jess,

What system are you studying and what kind of interactions do you want to consider? This greatly influences the type of calculation you should perform.

Kind regards,
Pedro

[jess_white]

Hi Pedro,

It is looking at different minerals and looking at their IR spec. However what other spec properties can Vasp look at?

Many thanks,
Jess

[jess_white]

Also reflectivity