$DFTBAO group (relevant for GBASIS=DFTB)
This group may be given in order to read in an atomic basis
set for DFTB. Note that most DFTB runs do not use a basis set
at all (the Hamiltonian is built from parameters; basis sets
are only used to produce parameters).
This group consists of a set of lines, one line per species,
i.e., normally, one line per element.
species-i AO-file-name
For example,
O /home/user/DFTB/3OB-3-1/wfc-3ob-3-1.hsd
The AO files follow the format used in http://www.dftb.org,
where some files may be found.
There is a short form of $DFTBAO:
$DFTBAO $END
In this case, the names of AO files are generated automatically
provided that you defined PARAM in $DFTB. The AO files should
in this case be put into the same directory where DFTB
parameters are.
23 lines are written.
Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.