Sharing electronic structure and crystallographic data with ETSF_IO

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

Abstract
We present a library of routines whose main goal is to read and write exchangeable files (NetCDF file format) storing electronic structure and crystallographic information. It is based on the specification agreed inside the European Theoretical Spectroscopy Facility (ETSF). Accordingly, this library is nicknamed ETSF_IO. The purpose of this article is to give both an overview of the ETSF_IO library and a closer look at its usage. ETSF_IO is designed to be robust and easy to use, close to Fort...

Title of program: ETSF_IO
Catalogue Id: AEBG_v1_0

Nature of problem
Store and exchange electronic structure data and crystallographic data independently of the computational platform, language and generating software.

Versions of this program held in the CPC repository in Mendeley Data
AEBG_v1_0; ETSF_IO; 10.1016/j.cpc.2008.05.007