[Wien] STM images

Corsin Battaglia corsin.battaglia at unine.ch
Mon May 9 18:44:52 CEST 2005


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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