deletions | additions       diff --git a/2_Cuprates_Chuck_101_EPL__.tex b/2_Cuprates_Chuck_101_EPL__.tex  index 063e7e6..eeb6356 100644  --- a/2_Cuprates_Chuck_101_EPL__.tex  +++ b/2_Cuprates_Chuck_101_EPL__.tex 
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4 La2CuSO3 => 3 La2SO2 + 4 Cu + La2SO6  We also investigate the sensitivity of the stability energies to the LDA+U correction (denoted ∆E_M $\Delta E_M$  in Eq. 6 of PRB 84, 045115 (2011)). Varying ∆E_M $\Delta E_M$  from 0.75eV/atom to 0.65eV/atom shifts the stability energies by less than ~20meV/atom, well within LDA’s error bars, and our conclusions remain unchanged. diff --git a/header.tex b/header.tex  index e69de29..00b3e57 100644  --- a/header.tex  +++ b/header.tex 
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\documentclass[aps,prl,twocolumn,groupedaddress,showpacs,letterpaper,floatfix,10pt]{revtex4-1}  \usepackage{amsmath,amssymb,graphicx,hyperref}  \hypersetup{pdfnewwindow=true, colorlinks=true, linkcolor=blue, anchorcolor=blue,  citecolor=blue, filecolor=blue, menucolor=blue, urlcolor=blue}  \def\k{{\bf k}}  \def\ket#1{\vert #1 \rangle}  \def\bra#1{\langle #1 \vert}  \def\me#1#2#3{\bra{#1} #2 \ket{#3}}  \def\olap#1#2{\bra{#1} #2 \rangle}  \def\avg#1{\langle #1 \rangle}  \DeclareMathOperator{\sgn}{sgn}  diff --git a/untitled.tex b/untitled.tex  index c016b53..d0b371b 100644  --- a/untitled.tex  +++ b/untitled.tex 
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\section{Introduction}  The ability to design new materials with desired properties is a key challenge. Its solution would have far-reaching implications in both fundamental science and technological applications. Whether it is a new class of semiconductors for the next generation of integrated circuits, superconductors for dissipationless transport of electricity, or thermoelectrics for efficient recovery of waste heat, advances in underlying materials results in advances in technology. However, the road to saying "I want a material that has these mechanical properties combined with these optical properties with these specific thermal switching characteristics" and being able to design a new material satisfying those properties from nothing more than the constituent elements is a long one. Why is it so difficult? Ingredients of materials design.  The underlying workhorse for all materials design is a box which takes as input  the coordinates of the atoms within a unit cell and produces the total energy  of the configuration. For materials without partially-filled $d$ or $f$ shells,  density functional theory performs quite well, providing total energies that  are accurate to within 50meV.  \begin{itemize} 
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\end{itemize}  Material \section{Material  Design Workflow}  The workflow of materials design naturally break apart into three steps. The  first, and most well-studied, is electronic structure: given a crystal  structure, compute its electronic properties, such as gap size, magnetic  ordering, and superconducting transition temperature. Here, density functional  theory, and its extensions to correlated materials, has been quite successful  in more detail: predicting the properties of large classes of materials. In principle, we  can compute lattice properties as well, such as phonon vibrational modes,  stress tensors and thermal expansion coefficients, but we simply call this step  ``electronic structure''.  The second step is structure prediction: given a fixed chemical composition,  say Ce$_2$Pd$_2$Sn, predict its ground state crystal structure. Structure  prediction requires having an accurate method for producing the energy of a  given configuration of atoms. For weakly correlated materials, DFT has been  quite successful  a) Structure to Property [ compute Gaps, Tc’s etc.]