# Difference between revisions of "DFT-short-course"

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− | == PDF | + | == PDF version of lectures == |

Lecture 1 [Oct. 28]: Hartree and Hartree-Fock methods, Density function theory (DFT) [[Image:Lecture1.pdf| alt pdf]] | Lecture 1 [Oct. 28]: Hartree and Hartree-Fock methods, Density function theory (DFT) [[Image:Lecture1.pdf| alt pdf]] | ||

− | Lecture 2 [Nov. 7, 15:00 HIT K 52]: Different approximation for exchange correlation potential: LDA, LSDA, GGA; LDA+U, LDA+DMFT | + | Lecture 2 [Nov. 7, 15:00 HIT K 52]: Different approximation for exchange correlation potential: LDA, LSDA, GGA; LDA+U, LDA+DMFT [[Image:Lecture2.pdf| alt pdf]] |

− | Lecture 3: Applications of DFT: | + | Lecture 3 + Practise 2 [Nov. 7, 10:00 HIL E10.1]: Applications of DFT: Hopping calculation [[Image:Lecture3.pdf| alt pdf]]. |

− | == PDF | + | Lecture 3 + Practise 3 [Nov. 14, 10:00 HIT K52]: Applications of DFT: LDA+U calculation, orbital ordering and |

+ | exchange constants calculations [[Image:Lecture4.pdf| alt pdf]]. | ||

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+ | == PDF version of tutorials == | ||

Practice 1 [Nov. 5, 9:00 HIT K 52]: LDA calculation of KCuF3 + short discussion about different types of wave-functions used | Practice 1 [Nov. 5, 9:00 HIT K 52]: LDA calculation of KCuF3 + short discussion about different types of wave-functions used | ||

− | in band structure calculations | + | in band structure calculations [[Image:Practice1.pdf| alt pdf]]; |

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## Latest revision as of 09:39, 14 November 2008

## PDF version of lectures

Lecture 1 [Oct. 28]: Hartree and Hartree-Fock methods, Density function theory (DFT) File:Lecture1.pdf

Lecture 2 [Nov. 7, 15:00 HIT K 52]: Different approximation for exchange correlation potential: LDA, LSDA, GGA; LDA+U, LDA+DMFT File:Lecture2.pdf

Lecture 3 + Practise 2 [Nov. 7, 10:00 HIL E10.1]: Applications of DFT: Hopping calculation File:Lecture3.pdf.

Lecture 3 + Practise 3 [Nov. 14, 10:00 HIT K52]: Applications of DFT: LDA+U calculation, orbital ordering and exchange constants calculations File:Lecture4.pdf.

## PDF version of tutorials

Practice 1 [Nov. 5, 9:00 HIT K 52]: LDA calculation of KCuF3 + short discussion about different types of wave-functions used in band structure calculations File:Practice1.pdf;