How to analyse excitons: Difference between revisions
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If you have completed the tutorial you should have all the databases required to do this tutorial in your SAVE and 2D directories | If you have completed the tutorial you should have all the databases required to do this tutorial in your SAVE and 2D directories | ||
$ ls | $ ls ./2D | ||
ndb.gops ns.kb_pp_pwscf_fragment_2 ns.kb_pp_pwscf_fragment_7 ns.wf_fragments_4_1 | |||
ndb.kindx ns.kb_pp_pwscf_fragment_3 ns.wf ns.wf_fragments_5_1 | |||
ns.db1 ns.kb_pp_pwscf_fragment_4 ns.wf_fragments_1_1 ns.wf_fragments_6_1 | |||
ns.kb_pp_pwscf ns.kb_pp_pwscf_fragment_5 ns.wf_fragments_2_1 ns.wf_fragments_7_1 | |||
ns.kb_pp_pwscf_fragment_1 ns.kb_pp_pwscf_fragment_6 ns.wf_fragments_3_1 | |||
Revision as of 06:46, 30 March 2017
In this tutorial you will learn (for a 2D-hBN) how to:
- How to analyze a BSE optical spectrum in terms of excitonic eigenvectors and eigenvalues
- How to plot the excitonic wavefunction
Prerequisites
Previous modules
- You must have completed the tutorial on 2D hBN.
- You must have completed the tutorial on 2D hBN.
You will need:
yppexecutablexcrysdenexecutablegnuplot or xmgraceexecutable
YAMBO calculations
If you have completed the tutorial you should have all the databases required to do this tutorial in your SAVE and 2D directories
$ ls ./2D ndb.gops ns.kb_pp_pwscf_fragment_2 ns.kb_pp_pwscf_fragment_7 ns.wf_fragments_4_1 ndb.kindx ns.kb_pp_pwscf_fragment_3 ns.wf ns.wf_fragments_5_1 ns.db1 ns.kb_pp_pwscf_fragment_4 ns.wf_fragments_1_1 ns.wf_fragments_6_1 ns.kb_pp_pwscf ns.kb_pp_pwscf_fragment_5 ns.wf_fragments_2_1 ns.wf_fragments_7_1 ns.kb_pp_pwscf_fragment_1 ns.kb_pp_pwscf_fragment_6 ns.wf_fragments_3_1