RESTART

Controls reading and writing of the initial restart files for the scattering region, including the coupling to the electrodes. [Edit on GitHub]

Keywords

FILENAME
READ_WRITE_HS

Keyword descriptions

FILENAME: string

Usage: FILENAME ./filename

Controls part of the filename. Use filename to obtain projectname-filename. Use ./filename to get filename. A middle name (type of matrix, contact number for coupling matrices, spin if 2 spins) and extension are always added to the filename. [Edit on GitHub]

READ_WRITE_HS: logical = F 

Lone keyword: T

Requests reading of the Hamiltonian and overlap matrices from a file. For the scattering region, including the coupling to the electrodes. If at least one of these files doesn’t exist, all Hamiltonian and overlap matrices are calculated and saved. If no name is specified by FILENAME, the default file names are projectname-H, projectname-H-Nn, projectname-S, projectname-S-Nn for restricted calculations with identical spin population, or projectname-H-Ss, projectname-H-Nn-Ss, projectname-S-Ss, projectname-S-Nn-Ss for unrestricted calculations with two spin components, where n is the number of the contact and s is the spin index. Otherwise, projectname is modified. [Edit on GitHub]