[Wien] eletronic density of states

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Mon Jan 17 11:10:20 CET 2005


> How can we calculate the elctronic density of states at fermi
> level  by using the wien2k code??

Look in the usersguide, section 3.11.2 how to calculate the DOS. You can
read the value at the Fermi energy from those graphs.

Alternatively (but by using the same procedure), you can look at the bottom
of case.outputt, where this value is printed directly:

 ******** EF and DOS at fermi level *******
  0.15138  1345.43             11.18              0.37              4.13
1.08              $
 Gamma in mJ/(mol cell K**2). (Divide by number of formula units in cell)
Cv/T       1585.52             13.18              0.44              4.87
1.27              $

Stefaan




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