[Wien] E-parameters for surfaces

Michael Gurnett michael.gurnett at kau.se
Fri Mar 26 17:54:39 CET 2004


Hello 

In regards to a previous answer in which Prof. Blaha wrote

"For surfaces, one should "correct" the E-parameters in case.in1.
Replace all "0.3" by appropriate values (below your EF)."

Should this always be done.

In my case I have from "analysis"

:FER  : F E R M I - ENERGY(TETRAH.M.)=   0.12449


Do I still need to change the default 0.3 in case.in1

best wishes

Michael
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