Hi LAMMPS-users
This is an update about JARVIS-FF database. Details about our elastic constant calculations on DFT geometries can now be found at:
http://www.nature.com/articles/sdata2016125
In our development version of JARVIS-FF, we compute elastic constants, defect formation energies, surface energies and phonon properties. The development version is available at:
http://www.ctcms.nist.gov/~knc6/JLAMMPS.html
Best Regards
Kamal Choudhary