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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130205/03175bab/attachment.html
