Hi all,
I was wondering if someone could tell me what the default exchange_correlation is? When I look at this page
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.exchangecorrelation.html is looks like an XC
must be specified, but I noticed (by coincidence!) that in some of my scripts, no exchange_correlation is explicitly set in the .py script.
When I go to the Scripter, I can see that LDA is the one that is selected by default, and if I change that to eg. MGGA, then the appropriate line shows up in the .py script. Does this mean that LDA is the default XC when nothing is specified ?
Thank you for any thoughts.
