[Wien] energy-mesh in wien2k

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Thu May 23 11:29:10 CEST 2013


> I am reproducing one Dos calculation.
> Authors are telling me to incraese the energy-mesh. How can I increase
> energy-mesh in wien2k? What does it mean?

This probably refers to the energy interval (hereunder DE=0.002) 
specified in the the 2nd line of case.int :

  -0.50 0.002 1.500 0.003  # EMIN, DE, EMAX, Gauss-broadening(>de)

It gives the distance between two energies at which the DOS is calculated.

Stefaan




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