Changes in out.xml for next official fleur version
I would like to collect here all the changes that have to enter the out.xml file in the next fleur version. At some point I will implement them all at once. Additions are welcome.
- The output of the distance for the mixing of the density matrix is missing. This has to be added.
- The DFT+U contribution to the total energy is provided in the xml element "dft+uCorrection". The special character "+" seems to be problematic for the XML code highlighting in some editors. This should be changed to something without special characters like, e.g., "dftPlusUCorrection".