[Wien] STM images

[Corsin Battaglia]

Dear Rossitza, dear Fred

It worked. Thanks for your answers and sorry for ignoring the "plotting conduction band states" thread in the mailing list.

Corsin
  ----- Original Message ----- 
  From: Corsin Battaglia 
  To: Wien at zeus.theochem.tuwien.ac.at 
  Sent: Monday, May 09, 2005 6:44 PM
  Subject: [Wien] STM images


  Dear Wien users

  For the calculation of STM images, the joint use of lapw2 and lapw5 has been previously suggested on the mailing list (http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-September/000693.html). Although I obtained density plots for the occupied states, I am unable to get density plots for the empty states. When I changed naively the emin variable in the case.in2 file to a value above the Fermi level, the resulting case.clmval and later case.rho files contain only zeros. Does anybody know how to create empty state charge density plots (as for e.g. in PRB 68, 085404)

  Thanks in advance

  Corsin Battaglia


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