bgw2sgw input keywords (bgw2sgw.inp)
Required keywords
Optional keywords
Keyword documentation
Misc. parameters
input_rho_file
Input charge-density file, in BerkeleyGW format. This is optional.
output_rho_file
Output charge-density file, for StochasticGW calculations using stochastic
orbitals, in text format. Defaults to dens.txt. The output charge-density
file will only be written if input_rho_file is specified.
input_wfn_file
Input wavefunction file, in BerkleyGW format. This is optional.
output_wfn_file
Output wavefunction file, for StochasticGW calculations using deterministic
orbitals, in text or binary format. Defaults to wf.bin. The output wavefunction
file will only be written only if input_wfn_file is specified.
output_structure_file
Output structure file for StochasticGW calculations, with atomic position in
bohrs. This file will only be written if input_wfn_file is specified.
number_states [integer]
Number of orbitals to write. Default (-1) is to write all orbitals in the input file.
Whether to write the text (formatted) output in high precision (16 digits, ~double precision) or low precision (7 digits, ~single precision). Default is low precision.