Two particle excitations: Difference between revisions
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==This Tutorial module: what will you learn== | ==This Tutorial module: what will you learn== | ||
Starting from DFT and GW calculations you will learn how to set up and run calculations to obtain optical absorption | Starting from DFT and GW calculations you will learn how to set up and run calculations to obtain and analyze an optical absorption spectrum for both bulk and low dimensional materials. | ||
The first part of the tutorial guides you through the calculation workflow. | -The first part of the tutorial guides you through the calculation workflow. | ||
The second part explains how to choose the relevant input parameters by studying the | -The second part explains how to choose the relevant input parameters by studying the convergence of the results. | ||
For these first two parts will use as example the bulk h-BN. The rest of the tutorial instead is focused on the h-BN monolayer. | |||
-The third part looks at different set ups when treating low dimensional materials | |||
-The fourth part regards the analysis and visualization of the excitons | |||
==Before starting: what do you need to know== | ==Before starting: what do you need to know== | ||
Revision as of 12:58, 17 March 2017
This Tutorial module: what will you learn
Starting from DFT and GW calculations you will learn how to set up and run calculations to obtain and analyze an optical absorption spectrum for both bulk and low dimensional materials. -The first part of the tutorial guides you through the calculation workflow. -The second part explains how to choose the relevant input parameters by studying the convergence of the results. For these first two parts will use as example the bulk h-BN. The rest of the tutorial instead is focused on the h-BN monolayer. -The third part looks at different set ups when treating low dimensional materials -The fourth part regards the analysis and visualization of the excitons