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Difference between revisions of "Plotting the BSE fatband structure of Si"

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== 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

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

Si_improve_eps.tgz

References

Cite error: <ref> tag defined in <references> has group attribute "" which does not appear in prior text.


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