EPR g-tensor / NMR chemical shift
The EPR/NMR part of this User's Guide is adapted from a document originally written by G. Schreckenbach, and later updated by S. Patchkovskii, the two main authors of this program.
ReferencesCompatibility and features
Comparison to related functionality in the ADF package
Summary of the input options
Input description
NUCLEI
ATOMS
GHOSTS
CALCVIRTDIA
NOPARA
OUTPUT
MixOccupations / NoMixOccupations
MAGNETIC SUSCEPTIBILITY
EPRGTENSOR
SICOEP
The spin-other-orbit term in the g-tensor
