Gustavo Aroeira

Hi @MarkoHorbatsch, You are not doing anything wrong, I was having similar issues with TBLIS on mac. Unfortunately, I believe the problem is upstream. TBLIS has been removed as dependency...

Hi @maartenvd, sorry about this delay. I believe that with our standard guess (GWH) we are converging on the wrong state. We are still pending a more robust guess, i.e....

Hi @Nick-Mul, I have not implemented any time of atomic charges on Fermi. But if you want to compute them yourself, using say Hartree-Fock, you should be able to retrieve...

Hi @thudjx , thanks for pointing it out. It seems to me that there is indeed a small discrepancy. I will try checking with the folks who wrote that part...