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<B> Next:</B> <A
HREF="node2.html">1 Introduction</A>
<B> Up:</B> <A
HREF="pseudo-gen.html">User's Guide for LD1</A>
<B> Previous:</B> <A
HREF="pseudo-gen.html">User's Guide for LD1</A>
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Contents</A>
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<UL>
<LI><A ID="tex2html37"
HREF="node2.html">1 Introduction</A>
<UL>
<LI><A ID="tex2html38"
HREF="node3.html">1.1 Who needs to generate a pseudopotential?</A>
<LI><A ID="tex2html39"
HREF="node4.html">1.2 About similar work</A>
<LI><A ID="tex2html40"
HREF="node5.html">1.3 Pseudopotential generation, in general</A>
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<LI><A ID="tex2html41"
HREF="node6.html">2 Step-by-step Pseudopotential generation</A>
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<LI><A ID="tex2html42"
HREF="node7.html">2.1 Choosing the generation parameters</A>
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<LI><A ID="tex2html43"
HREF="node7.html#SECTION00031100000000000000">2.1.1 Exchange-correlation functional</A>
<LI><A ID="tex2html44"
HREF="node7.html#SECTION00031200000000000000">2.1.2 Valence-core partition</A>
<LI><A ID="tex2html45"
HREF="node7.html#SECTION00031300000000000000">2.1.3 Electronic reference configuration</A>
<LI><A ID="tex2html46"
HREF="node7.html#SECTION00031400000000000000">2.1.4 Nonlinear core correction</A>
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<LI><A ID="tex2html47"
HREF="node8.html">2.2 Type of pseudization</A>
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<LI><A ID="tex2html48"
HREF="node8.html#SECTION00032100000000000000">2.2.1 Pseudization energies</A>
<LI><A ID="tex2html49"
HREF="node8.html#SECTION00032200000000000000">2.2.2 Pseudization radii</A>
<LI><A ID="tex2html50"
HREF="node8.html#SECTION00032300000000000000">2.2.3 Choosing the local potential</A>
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<LI><A ID="tex2html51"
HREF="node9.html">2.3 Generating the pseudopotential</A>
<LI><A ID="tex2html52"
HREF="node10.html">2.4 Checking for transferability</A>
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<LI><A ID="tex2html53"
HREF="node11.html">3 A worked example: Ti</A>
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<LI><A ID="tex2html54"
HREF="node12.html">3.1 Single-projector, norm-conserving, no semicore</A>
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<LI><A ID="tex2html55"
HREF="node12.html#SECTION00041100000000000000">3.1.1 Generation</A>
<LI><A ID="tex2html56"
HREF="node12.html#SECTION00041200000000000000">3.1.2 Testing</A>
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<LI><A ID="tex2html57"
HREF="node13.html">3.2 Single-projector, norm-conserving, with semicore states</A>
<LI><A ID="tex2html58"
HREF="node14.html">3.3 Testing in molecules and solids</A>
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<LI><A ID="tex2html59"
HREF="node15.html">A. Atomic Calculations</A>
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<LI><A ID="tex2html60"
HREF="node16.html">A..1 Nonrelativistic case</A>
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<LI><A ID="tex2html61"
HREF="node16.html#SECTION00051100000000000000">A..1.1 Useful formulae</A>
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<LI><A ID="tex2html62"
HREF="node17.html">A..2 Fully relativistic case</A>
<LI><A ID="tex2html63"
HREF="node18.html">A..3 Scalar-relativistic case</A>
<LI><A ID="tex2html64"
HREF="node19.html">A..4 Numerical solution</A>
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<LI><A ID="tex2html65"
HREF="node20.html">B. Equations for the Troullier-Martins method</A>
<LI><A ID="tex2html66"
HREF="node21.html">Bibliography</A>
<LI><A ID="tex2html67"
HREF="node22.html">About this document ...</A>
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