SpinDynamics.org User Support Forum

Thank you for looking into it. I will try to look more closely then on the scripts. I find understanding electronic structure fascinating, but when it comes it magnetism, I am not sure how the community navigates through so many differences in unit systems, conventions and notations. On top of which...

Dear Support Foum, der Prof Kuprov I have a naive question regarding the hfc2pms script and the related one hfc2pcs. I am faily new to paramagnetic NMR calculations, so if the question is trivial, please excuse it. I am calculating the paramagnetic NMR shifts of an iron molecule (S=1) which has a fa...