CP2k result correctness check for H2O-256, H2O-dft-ls.NREP4 benchmark dataset ?

Hi , I am running H2O-256, and H2O-dft-ls.NREP4 dataset from QS , QS_DM_LS benchmarks in CP2K application , although I am able to successfully run the benchmark but I want to know to check for...

17 July 2023 9,351 0 View