Material Science, Physics, Band Structure, Quantum Espresso, Density Functional Theory.
Molybdenum. W.rel-pw91-spn-rrkjus_psl.0.2.3.UPF: atomic pseudopotential file for Tungsten. S.rel-pw91-n-rrkjus_psl.0.1.UPF: atomic pseudopotential file for Sulfur. There are several websites where you can find pseudopotential files, for e.g. http://www.quantum-espresso.org/pseudopotentials. When