Dear colleagues,

We are happy to present exciting oxygen, the newest main release of the (open-source) full-potential all-electron code exciting (http://exciting.wikidot.com/).

For more information and for downloading the code, go to:

http://exciting.wikidot.com/oxygen

exciting oxygen release notes:

• Name: exciting oxygen
• Operating system(s): Linux/Unix
• Release date: 7 Jul 2021
•  
• New compiling procedure
• New framework for application tests
• Density-matrix approach for evaluating electron density
• Improved second variation for magnetic and spin-orbit calculations
• Time evolution of Kohn-Sham wavefunctions within the framework of real-time TDDFT
• Calculate spin textures for ground states with spin-orbit coupling
• Updates in Bethe-Salpeter equation calculations
• Updates for hybrid functionals
• Updates in Boltzmann transport
• Calculation of Born effective charge tensors

Tutorials for exciting oxygen are available at

http://exciting.wikidot.com/tutorials-oxygen

With kind regards,
Pasquale Pavone on behalf of the exciting team