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bgw2sgw input keywords (bgw2sgw.inp)

Required keywords

Optional keywords

Keyword documentation

Misc. parameters


Input charge-density file, in BerkeleyGW format. This is optional.


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 wavefunction file, in BerkleyGW format. This is optional.


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 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.