ORBITALMAG facility: is this production-ready?
Posted: Thu Sep 15, 2016 5:15 pm
Hi,
the OUTCAR, vasprun.xml, and source code all reference orbital magnetism calculations, and the source code also references the converse method of chemical shielding calculations. I notice on the forum that in 2012 there were several questions about this topic but not many answers. As of the present (2016, VASP 5.4.1), are these features production-ready? They do not seem to be documented in the manual.
thanks!
the OUTCAR, vasprun.xml, and source code all reference orbital magnetism calculations, and the source code also references the converse method of chemical shielding calculations. I notice on the forum that in 2012 there were several questions about this topic but not many answers. As of the present (2016, VASP 5.4.1), are these features production-ready? They do not seem to be documented in the manual.
thanks!