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Last update: doc. RNDr. Vojtěch Chlan, Ph.D. (09.05.2024)
oral exam and credit |
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Last update: doc. RNDr. Vojtěch Chlan, Ph.D. (09.05.2024)
Kieron Burke, The ABC of DFT (dft.uci.edu/doc/g1.pdf) P. Blaha, K.Schwarz, F. Tran, R. Laskowski, G.K.H. Madsen and L.D. Marks, J. Chem. Phys. 152, 074101 (2020) S. Cottenier, Density Functional Theory and the family of (L)APW-methods: a step-by-step introduction, 2002-2013 (2nd edition), ISBN 978-90-807215-1-7, http://www.wien2k.at/reg user/textbooks The VASP Manual, www.vasp.at/wiki/index.php/The_VASP_Manual |
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Last update: doc. RNDr. Vojtěch Chlan, Ph.D. (09.05.2024)
lectures and excercises |
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Last update: doc. RNDr. Vojtěch Chlan, Ph.D. (09.05.2024)
Credit and exam are required for completion of the course. Active participation in excercises is a condition for obtaining the credit. The exam is oral, the required knowledge corresponds to the syllabus of the lecture within extent presented in the lectures. |
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Last update: doc. RNDr. Vojtěch Chlan, Ph.D. (09.05.2024)
Introduction into electronic structure calculations
Introduction to VASP and WIEN2k, introduction to HPC
Basic tutorials
Modelling of advanced specific examples
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