Plotting the BSE fatband structure of Si: Difference between revisions
No edit summary |
No edit summary |
||
| Line 41: | Line 41: | ||
== References == | == References == | ||
<references> | |||
<ref name="bokdam:scr:6">[https://www.nature.com/articles/srep28618 M.Bokdam et al., Scientific Reports 6, 28618 (2016).]</ref> | |||
</references> | |||
{{Template:BSE}} | {{Template:BSE}} | ||
Revision as of 11:14, 14 December 2017
Overview > Dielectric properties of Si using BSE > Improving the dielectric function > Plotting the BSE fatband structure of Si > List of tutorials
Task
Visualization of BSE eigenvectors using fatbands.
Input
Si 5.4300 0.5 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 2 cart 0.00 0.00 0.00 0.25 0.25 0.25
INCAR
- This is the INCAR file for the basic DFT calculation:
System = Si PREC = Normal ; ENCUT = 250.0 ISMEAR = 0 ; SIGMA = 0.01 KPAR = 2 EDIFF = 1.E-8 NBANDS = 16 LOPTICS = .TRUE. # needed for WAVEDER file LPEAD = .TRUE. OMEGAMAX = 40
KPOINTS
The KPOINTS file will be automatically generated in this example.
Calculation
Download
References
Cite error: <ref> tag with name "bokdam:scr:6" defined in <references> has group attribute "" which does not appear in prior text.
Overview > Dielectric properties of Si using BSE > Improving the dielectric function > Plotting the BSE fatband structure of Si > List of tutorials
Back to the main page