Quantum ESPRESSO Modules#
This is an in-depth look at all of the user-facing classes and functions in Nexus that relate to Quantum ESPRESSO.
The Quantum ESPRESSO utilities are split across 5 modules:
- Quantum ESPRESSO Input
- Quantum ESPRESSO
- Quantum ESPRESSO Analyzer
is_numberpwscf_timePwscfAnalyzerQEXMLreadvalread_qexmlreadvalwritevalNamelistNamelistInputPostProcessSimulationgenerate_ppsimPPInputppNamelistPPPlotNamelistPPInputPPgenerate_pp_inputgenerate_ppDosNamelistDosInputDosgenerate_dos_inputgenerate_dosBandsNamelistBandsInputBandsgenerate_bands_inputgenerate_bandsProjwfcNamelistProjwfcInputProjwfcAnalyzerProjwfcgenerate_projwfc_inputgenerate_projwfcCpppInputppNamelistCpppInputCpppgenerate_cppp_inputgenerate_cpppPwexportInputppNamelistPwexportInputPwexportgenerate_pwexport_inputgenerate_pwexportHpNamelistHpInputHpAnalyzerHpgenerate_hp_inputgenerate_hpcls