Difference between revisions of "DFT-short-course"

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== PDF versions of lectures ==
 
== PDF versions of lectures ==
  
Lecture 1: Hartree and Hartree-Fock methods, Density function theory (DFT) [[pdf:Lecture1.pdf]]
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Lecture 1: Hartree and Hartree-Fock methods, Density function theory (DFT) [[Image:Lecture1.pdf]]
 +
Lecture 2: Different approximation for exchange correlation potential: LDA, LSDA, GGA; LDA+U, LDA+DMFT 
 +
Lecture 3: Applications of DFT:
  
 
== PDF versions of tutorials ==
 
== PDF versions of tutorials ==
 +
 +
== Input and output files for the tutorial ==
 +
 +
Main input file
 +
 +
'''LDA:''' Starting CTRL file, SCF CTRL, SCF out-file
 +
 +
'''LDA+U:''' Starting CTRL file, SCF CTRL, SCF out-file
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 +
'''Orbital plotting:''' Maple input file

Revision as of 17:02, 31 October 2008

PDF versions of lectures

Lecture 1: Hartree and Hartree-Fock methods, Density function theory (DFT) File:Lecture1.pdf Lecture 2: Different approximation for exchange correlation potential: LDA, LSDA, GGA; LDA+U, LDA+DMFT Lecture 3: Applications of DFT:

PDF versions of tutorials

Input and output files for the tutorial

Main input file

LDA: Starting CTRL file, SCF CTRL, SCF out-file

LDA+U: Starting CTRL file, SCF CTRL, SCF out-file

Orbital plotting: Maple input file