A user-oriented review of CP2K collecting input recipes for DFT, quantum chemistry, GW/BSE, spectroscopy, and embedding methods, plus a benchmark of the UZH basis and pseudopotential protocol against all-electron FP-LAPW.
Sparse matrix multiplication: The distributed block- compressed sparse row library.Parallel Comput.2014,40, 47–58
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The CP2K Program Package Made Simple
A user-oriented review of CP2K collecting input recipes for DFT, quantum chemistry, GW/BSE, spectroscopy, and embedding methods, plus a benchmark of the UZH basis and pseudopotential protocol against all-electron FP-LAPW.