Hi, Trinh :<br><br>I think you should use the postprocessing code of QE, pp.x . Just looking through its document, you can set plot_num =11 to get the potential distribution of your system. While, to further obtain the vacuum level, you need perform macroscopic average over the static potential, which can be achieved by average.x routine. And You will find a constant value at certain vacuum region for this quantity, which is the so-called vacuum level.<br>
<br>A simple way to get through this issue, i think , is to play with the example supplied in $QE/examples/WorkFct_example.<br><br><br>Regards,<br><br><div class="gmail_quote">On Sat, Jul 25, 2009 at 8:00 AM, Vo, Trinh (388C) <span dir="ltr"><<a href="mailto:trinh.vo@jpl.nasa.gov">trinh.vo@jpl.nasa.gov</a>></span> wrote:<br>
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<p>Dear PWSCF Users,</p>
<p> </p>
<p>I am looking for part of the code that computes the vacuum
level. Could any of you tell me where it is in the QE package.
I see in the subroutine ” makov_payne.f90”, there is a
subroutine called “vacuum_level( x0, zion )”. I briefly
looked at it, the result would be printed out as “corrected vacuum
level”, so I am not sure if it is the right one. </p>
<p> </p>
<p>Thank you,</p>
<p> </p>
<p>Trinh Vo</p>
<p> </p>
<p>JPL/CalTech</p>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>