triqs_dftkit.wien2k

Wien2k converter and driver for DFT+DMFT calculations

Modules

`converter`	Wien2k converter
`ctqmcout`	Pure-Python generation of the dmftproj correlated-shell projector file (case.ctqmcout), replacing the projector path of the dmftproj Fortran executable (outputqmc.f subroutine outqmc).
`driver`	WIEN2k driver for TRIQS+DFT workflow automation.
`oubwin`	Pure-Python generation of the dmftproj band-window file (case.oubwin), replacing the corresponding output of the dmftproj Fortran executable.
`outband`	Pure-Python generation of the dmftproj band-structure projector file (case.outband), replacing the -band path of the dmftproj Fortran executable (outband.f).
`parproj`	Pure-Python generation of the dmftproj partial-projector file (case.parproj), replacing the parproj path of the dmftproj Fortran executable (outputqmc.f).
`sympar`	Pure-Python generation of the dmftproj included-shell symmetry file (case.sympar), replacing the corresponding output of the dmftproj Fortran executable (outputqmc.f, unit ousympar).
`symqmc`	Pure-Python generation of the dmftproj correlated-shell symmetry file (case.symqmc), replacing the corresponding output of the dmftproj Fortran executable.