Highly efficient computational software plays a crucial role in bridging the gap between theoretical methods and real applications. In the past decade, scientists in our community have developed a great variety of efficient computational programs aiming at first principles modeling of real materials. See our codes page for a more detailed explanation.
An important component of the ETSF is the integration of code development, as each node has complementary theoretical capabilities and software tools. Steps have been taken in the direction of standardization of files, including a file format for pseudo-potentials and a file format for electronic structure I/O.
A further direction being followed by the ETSF concerning software is to propose libraries and tools to handle ETSF files and to develop ETSF-compliant software. These tools include for instance a library to read and write electronic structure files (ETSF I/O), as well as a tool to convert pseudopotential files into different formats of interest for the ETSF codes (pspconvert).