6.2.1.4.2. iexcitonclΒΆ

Classical coupling of transition charges The following table contains the defaults input options for the calculator, The default OPTIONAL means this option is switched off, if no input is given. REQUIRED arguments have to be specified, otherwise an error is thrown.

Property Name

Default Value

Description

Valid Input

map_file

votca_map.xml

xml file with segment definition

job_file

exciton.jobs

name of jobfile to which jobs are written

states

OPTIONAL

Use a list of pairs of segments and exciton labels for
writing the jobfile, e.g. DCV5T:n2s1

Note

An xml file containing the defaults for the iexcitoncl calculator can be created via -p iexcitoncl -o FILENAME command line options `