[Pw_forum] Workfunction in STM calculation

andreim at physics.rutgers.edu andreim at physics.rutgers.edu
Tue Feb 5 22:12:37 CET 2013


Dear QE Users and Developers,

Is workfunction used in the STM calculation in the current version of
Quantum ESPRESSO?

In file stm.f90 there is a comment that says that the routine needs
workfunction wf. But it looks like the variable wf is not really used
inside the subroutine stm(), except that it gets overwritten at the very
end by the number of states (istates).

On the other hand, during STM postprocessing step, before stm() the
subroutine work_function(wf) is called, which creates the file
seedname.workf. Is this file used at some later point in creating the STM
image?

Thank you,

Andrei Malashevich
--
Postdoctoral Associate
Department of Applied Physics
Yale University




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