While basis set convergence sounds straightforward (though time-consuming) it is hard to rule out that underlying assumptions in the design of the basis set influences the results. However, converged basis set DFT results are needed to separate basis set errors from errors due to the functional. Multiwavelets, a systematic and adaptive multiresolution numerical solution of the …
This year promises much more exciting news. I was kindly invited by one of the leaders -worldwide- in the field of superconducting hydrides. His team have measured the highest superconducting transition at 250 K! (the machine in the picture)
