Chuck-Hou Yee edited subsection_TlCsCl3_Qualitive_idea_Imitate__.tex  almost 8 years ago

Commit id: 2982705143d6c698ed725877cf403eca13fb31e6

deletions | additions      

       

\item Parent compound. Gap, requires GW. ( LDA fails ) .  \item Checked local stability: compute phonons (global stability not done)  \item Reaction path as a slice of a convex hull  \end{itemize}  Outcome: new material, undopable. Is it related to the large heat of formation? Self-localization – disorder ?