Difference between revisions of "DFT-short-course"

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

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