Currently PWscf supports Ultrasoft (US) Vanderbilt pseudopotentials (PPs) and as a consequence also Norm-Conserving (Hamann-Schlüter-Chiang) PPs in separable Kleinman-Bylander form. Note however that calculations of effective charges, electron-phonon coefficients, third-order derivatives are not implemented with US PPs.

Ready-to-use pseudopotentials for PWscf are available for elements marked with a link in the periodic table below. Click on the element entry and follow the link to access these pseudopotentials and a minimal description on their characteristics.

Although most of these PPs were published or used with satisfactory results in published work, we cannot give any warranty whatsoever that they fit your actual needs.