RNGseed RAND_SEED inline int
data_distribution DATA_DISTRIBUTION inline string None None None KPOINT,GVECTOR,MIXED,DEFAULT
opt_strategy OPT_STRATEGY inline string None None None SPEED+++,SPEED++,SPEED,DEFAULT,MEMORY
xc_vxc_deriv_epsilon XC_VXC_DERIV_EPSILON inline float
xcFunctional XC_FUNCTIONAL inline string None None None LDA,PW91,PBE,RPBE,HF,SHF,EXX,SX,ZERO,HF-LDA,SHF-LDA,EXX-LDA,SX-LDA
maxRunTime RUN_TIME inline int
max_sd_steps MAX_SD_STEPS inline int
max_diis_steps MAX_DIIS_STEPS inline int
max_cg_steps MAX_CG_STEPS inline int
comment COMMENT inline string
task TASK inline string None None None SINGLEPOINT,BANDSTRUCTURE,GEOMETRYOPTIMIZATION,MOLECULARDYNAMICS,PHONON,EFIELD,PHONON+EFIELD,OPTICS,TRANSITIONSTATESEARCH
calculate_stress CALCULATE_STRESS inline string None None None TRUE,FALSE
num_backup_iter NUM_BACKUP_ITER inline int 0,None None None None
basis_precision BASIS_PRECISION inline string None None None COARSE,MEDIUM,FINE
fixed_npw FIXED_NPW inline string None None None TRUE,FALSE
finite_basis_corr FINITE_BASIS_CORR inline string None None None NONE,AUTO
nElectrons NELECTRONS inline float 0,None None None None
netCharge CHARGE inline float
netSpin SPIN inline float
spinUp NUP inline double 0,None None None None
spinDown NDOWN inline double 0,None None None None
spinPolarized SPIN_POLARIZED inline string None None None TRUE,FALSE
nBands NBANDS inline int 0,None None None None
mix_scheme MIXING_SCHEME inline string None None None KERKER,LINEAR,BROYDEN,PULAY
popn_calculate POPN_CALCULATE inline string None None None TRUE,FALSE
popn_cutoff POPN_BAND_CUTOFF inline float 0,None None None None
pdos_calculate_weights PDOS_CALCULATE_WEIGHTS inline string None None None TRUE,FALSE
geomMethod GEOM_METHOD inline string None None None BFGS,DampedMD
geom_max_iter GEOM_MAX_ITER inline int 0,None None None None
geom_etol GEOM_ENERGY_TOL inline float 0,None None None None
cutoff CUTOFF inline float 0,None None None None
geom_ftol GEOM_FORCE_TOL inline float 0,None None None None
metalsMethod METALS_METHOD inline string None None None NONE,DM
elec_eigenvalue_tol ELEC_EIGENVALUE_TOL inline float 0,None None None None
elec_energy_tol ELEC_ENERGY_TOL inline float 0,None None None None
geom_disptol GEOM_DISP_TOL inline float 0,None None None None
geom_stresstol GEOM_STRESS_TOL inline float 0,None None None None
geom_modulus_est GEOM_MODULUS_EST inline float 0,None None None None
geom_frequency_est GEOM_FREQUENCY_EST inline float 0,None None None None
