I am trying to use a workflow that uses quantum espresso to produce band structure plots. I need to download a specific pseudo potential that is specified in the workflow (SSSP/1.2/PBEsol/efficiency) however when i run “aiida-pseudo install sssp” it only installs SSSP/1.1/PBE/efficiency and SSSP/1.3/PBE/efficiency. Is there a way I can specifically install the pseudopotential I need.
You can use aiida-pseudo install sssp --help for help instructions. It should print something like:
Usage: aiida-pseudo install sssp [OPTIONS]
Install an SSSP configuration.
The SSSP configuration will be automatically downloaded from the Materials
Cloud Archive entry to create a new `SsspFamily`.
Options:
-v, --version [1.0|1.1|1.2|1.3]
Select the version of the installed
configuration. [default: 1.3]
-x, --functional [PBE|PBEsol] Select the functional of the installed
configuration. [default: PBE]
-p, --protocol [efficiency|precision]
Select the protocol of the installed
configuration. [default: efficiency]
--download-only Only download the pseudopotential files to
the current working directory, without
installing the pseudopotential family.
--from-download FILE Install the pseudpotential family from
archive and metadata downloaded with the
`--download-only` option.
-t, --traceback Include the stacktrace if an exception is
encountered.
--verbosity [notset|debug|info|report|warning|error|critical]
Set the verbosity of the output.
-h, --help Show this message and exit.
So to install another version you could use
aiida-pseudo install sssp -v 1.2 -x PBESol -p efficiency
2 Likes
Thank you. This worked perfectly.