The repository contains the input required to run the lessons on Abipy, as well as the input files, the main output in text format and the netcdf files. The workhorse of these tutorials are so-called ...

abstract: "ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, ...

The single largest group of users on high-performance computing clusters has to be the chemists. Their CPU-year count is definitely at the very top of the list. Because of this heavy use, several ...