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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.


precision_high

precision_low