RESTART

Read and write restart files for the given contact. [Edit on GitHub]

Keywords

FILENAME
READ_WRITE_HS

Keyword descriptions

FILENAME: string

Usage: FILENAME ./filename

Controls part of the filename for output. Use filename to obtain projectname-filename. Use ./filename to get filename. A middle name (contact number, type of matrix, 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 electrode Hamiltonian and overlap matrices from a file. 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-Nn-H00, projectname-Nn-H01, projectname-Nn-S00, projectname-Nn-S01 for restricted calculations with identical spin population, or projectname-Nn-H00-Ss, projectname-Nn-H01-Ss, projectname-Nn-S00-Ss, projectname-Nn-S01-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. Note that the code does not distinguish between the files created by a separate electrode or the entire system. [Edit on GitHub]