This PR updates the journal references for Cr-Zn ccECP-soft (JCP) and Tb, Sn ccECP (arXiv).
In addition, I explicitly set the nrule in Tb so that the VMC energy matches the HF energy. Having this baked-in in the ECP file is better than expecting users to provide this in the QMC input file.
This PR updates the journal references for Cr-Zn ccECP-soft (JCP) and Tb, Sn ccECP (arXiv).
In addition, I explicitly set the
nrulein Tb so that the VMC energy matches the HF energy. Having this baked-in in the ECP file is better than expecting users to provide this in the QMC input file.