Dear all,

Orbitals cannot be calculated for periodic models with kpoints other than gamma.but I read paper  that The Brillouin zone k-point was sampled as 1 × 1 × 8 and was not gamma.How was this done?

How were homo and lumo orbitals drawn for the molecular periodic system in the following article?

https://doi.org/10.1021/acsomega.1c02562