deletions | additions       diff --git a/Corrections_to_LDA_GGA_energies__.tex b/Corrections_to_LDA_GGA_energies__.tex  index 624cf17..063e7e6 100644  --- a/Corrections_to_LDA_GGA_energies__.tex  +++ b/Corrections_to_LDA_GGA_energies__.tex 
...
2) Cuprates Chuck 101. EPL.  Qualitative Idea. Reducing the charge transfer gap, increase Tc in cuprate like structures.  a) DMFT to compute gap.  b) Local checks. In plane rotations. No global structural optmiziation.  c) Check some slices using reactions.  More work shows that that slices give a different picture.  Outcome : do any of these materials exist ?  Corrections to LDA/GGA energies for convex hull construction have been systematically investigated for transition metal oxides [PRB 73, 195107 (2006), PRB 84, 045115 (2011)]. The corrections arise from two sources: (a) the GGA overbinding of the anion (most commonly the $O_2$ molecule) and (b) correlations. The GGA overbinding differs based on the anion, and the corrections are tabulated in the Materials Project.  The correlation corrections are further divided into two components: (1) a contribution due to the U for atomic-like orbitals, treated by LDA+U, and (2) a correction in the energies required when comparing correlated (modeled using LDA+U) and uncorrelated (modeled using LDA) compounds. This is often the case in construction phase diagrams containing transition metal ions as their behavior can be considered “correlated” or “uncorrelated” depending on their valence and chemical environment.