JSON file format - QWalk/mainline GitHub Wiki
- supercell
- pseudopotential
- charge
- total_spin
- dft
- functional
- basis
- tolinteg
- spin_polarized
- initial_spin
- initial_charges
- edifftol
- fmixing
- broyden
- maxcycle
- restart_from
- qmc
- variance_optimize
- niterations
- nruns
- energy_optimize
- threshold
- vmc_nstep
- dmc
- timestep
- jastrow
- nblock
- optimizer
- localization
- target_error
- kpoints
- excitations
- variance_optimize
- control
- id
- elements
- pretty_formula
- queue_id