[Pw_forum] Workfunction in STM calculation

[Ali KACHMAR]

Dear Andrei,

Is the exercice 5 in the attached file (link below) is similar to what you would like to do?

http://www.google.fr/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&ved=0CC4QFjAA&url=http%3A%2F%2Fwww.fisica.uniud.it%2F~giannozz%2FQE-Tutorial%2Ftutorial_postproc.pdf&ei=moURUe3qKuia0QWhp4HYAQ&usg=AFQjCNFEV1ZDHClXWi8jxDz4AZPKemSEMA&bvm=bv.41934586,d.d2k

Best,
Ali

> Date: Tue, 5 Feb 2013 16:12:37 -0500
> From: andreim at physics.rutgers.edu
> To: Pw_forum at pwscf.org
> Subject: [Pw_forum] Workfunction in STM calculation
> 
> 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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