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.
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;
Practice 2: KCuF3: LDA+U, hoppings and exchange constants calculation, plot of orbital pattern.
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