Package for automatic GW calculations using abinit.
The main dependence of HTGW is AbiPy. HTGW does not introduce further dependencies that are not already a dependecy of AbiPy.
In order to prepare automatic gw flows through the AbiPy machinery, the manager.yml needs to be present and properly configured. The AbiPy package provides a long list of examples. To run actual calculations a properly installed version of Abinit is also requiered. Note that some features of AbiPy, e.g., configuring the opinal paralelization require also a serial version of Abinit to be present in the path.
Further details are provided in Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations free preprint.