Yambo Community Forum

Dear all,

Concerning spin-orbit interaction, which is of great importance in dye molecules absorption spectra and is included recently in yambo code, is yambo a suitable code for computing molecular spectra via GW-BSE or TD-DFT methods? or is one of the most suitable for crystal structures?

Thanks in advance,

Farah Marsusi,
Amirkabir university, Tehran, Iran.

Dear Farah, you can surely treat molecules, but of course depending on the size of your system, the use of the planewaves can be painful.
Best,
Daniele