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Dear Andrei,<br><br>Is the exercice 5 in the attached file (link below) is similar to what you would like to do?<br><br>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<br><br>Best,<br>Ali<br><br><div><div id="ecxSkyDrivePlaceholder"></div>> Date: Tue, 5 Feb 2013 16:12:37 -0500<br>> From: andreim@physics.rutgers.edu<br>> To: Pw_forum@pwscf.org<br>> Subject: [Pw_forum] Workfunction in STM calculation<br>> <br>> Dear QE Users and Developers,<br>> <br>> Is workfunction used in the STM calculation in the current version of<br>> Quantum ESPRESSO?<br>> <br>> In file stm.f90 there is a comment that says that the routine needs<br>> workfunction wf. But it looks like the variable wf is not really used<br>> inside the subroutine stm(), except that it gets overwritten at the very<br>> end by the number of states (istates).<br>> <br>> On the other hand, during STM postprocessing step, before stm() the<br>> subroutine work_function(wf) is called, which creates the file<br>> seedname.workf. Is this file used at some later point in creating the STM<br>> image?<br>> <br>> Thank you,<br>> <br>> Andrei Malashevich<br>> --<br>> Postdoctoral Associate<br>> Department of Applied Physics<br>> Yale University<br>> <br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://pwscf.org/mailman/listinfo/pw_forum<br></div> </div></body>
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