...
- neb
- constraints interface (needed for neb)
- dos
- bandgaps
- separation of site-specific code from ASE code (including site-specific "scratch")
- make beef errors accessible from ASE
- beef self-tests integrated with espresso self-tests
- become part of ASE svn (need to follow new ASE guidelines)
- dry-run mode to get memory estimate
- support kpoint parallelization (and others, e.g. scalapack)
- record uspp and executable directory in output (and/or svn version, somehow?)
- documentation/examples (including on ASE website)
- eliminate need for calc.stop() with multiple calculations
- get work function without dumping out the electrostatic cube file?