Hello everyone,
I will be in Beijing for 7 days. For this purpose, I need to get myself an eSIM. While being in Turkey, I was using BNEsim and was satysified with both price and connection. However, people recommend AliPay but there is a lot: Trip.com, NewTech, Talk2all,Fliggy, and WorldSurf. That's confusing...
Appreciate any good recommendations. I think 20GB would be enough with a possibility to top up.
Hi,
I use Orca for quite a time. It absolutely awesome for TDDDFT or post HF when it comes to energies or properties. Yet, what I noticed, it struggles with optimisation of all species other than ground states, especially radicals and anions.
Maybe this is due to the functional I use - M062X and basis set. In Orca I stick with ma-def2 but in Gaussian I’m naturally restricted to Pople’s. The algorithm is struggling so much, I constantly have to change maxstep or trust, and defgrid3 combined with verytightscf which are critical in this combination make it even slower.