View source for Fcc Si bandstructure

Description: compute the bandstructure in fcc Si along L-&Gamma;-X-U and K-&Gamma;

'''Mind''': For this calculations you need the {{FILE|CHGCAR}} file of the [[Fcc Si DOS|fcc Si DOS example]].
----
*{{TAG|INCAR}}
 System = fcc Si 
 ICHARG=11 #charge read file
 ENCUT  =    240
 ISMEAR = 0; SIGMA = 0.1;
 LORBIT=11

*{{TAG|KPOINTS}}
 k-points for bandstructure L-G-X-U K-G
  10
 line
 reciprocal
   0.50000  0.50000  0.50000    1
   0.00000  0.00000  0.00000    1
 
   0.00000  0.00000  0.00000    1
   0.00000  0.50000  0.50000    1
 
   0.00000  0.50000  0.50000    1
   0.25000  0.62500  0.62500    1
 
   0.37500  0.7500   0.37500    1
   0.00000  0.00000  0.00000    1

*{{TAG|POSCAR}}
 fcc Si:
  3.9
  0.5 0.5 0.0
  0.0 0.5 0.5
  0.5 0.0 0.5
    1
 cartesian
 0 0 0

*{{TAG|CHGCAR}}
This calculation needs a converged charge density as input ({{TAG|ICHARG}}=11).
You may use the {{FILE|CHGCAR}} file of the [[Fcc Si DOS|fcc Si DOS example]].

== Used INCAR Tags ==
{{TAG|ENCUT}}, {{TAG|ICHARG}}, {{TAG|ISMEAR}}, {{TAG|LORBIT}}, {{TAG|SIGMA}}, {{TAG|SYSTEM}}

== Download ==
[http://www.vasp.at/vasp-workshop/examples/fccSiband.tgz fccSiband.tgz]
----
[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]]

[[Category:Examples]]