Not sure what you mean by plotting the average potential along a certain direction, but if you mean plotting along z an x,y average take a look at Util/Macroave in the siesta package
Best Emilio On 20 Apr 2011, at 09:54, Ulrich Biedermann wrote: > Hi, > I have written a small fortran program to calculate yz averages as funciton > of x ect. based on the > grid2cube.f in Siesta 2.0.2 utils directory. Note that for reading > unformatted files exactly the same compiler has to be used as for siesta. > > Regards, > Ulrich. > > ----- Original Message ----- > From: root > [mailto:rootinformat...@gmail.com] > To: siesta-l@uam.es > Sent: Wed, 20 Apr > 2011 05:35:33 +0200 > Subject: [SIESTA-L] The average potential along certain > direction > > >> Hi all, >> >> Does anyone has experience of plotting the average potential along certain >> direction after a SIESTA run? I found that XCrysden can plot the 3D real >> space potential profile, however what I want is the average potential >> changes along a certain direction. Any suggestion for this? >> >> Thanks a lot. >> > > > --- > Max-Planck-Institut für Eisenforschung GmbH > Max-Planck-Straße 1 > D-40237 Düsseldorf > > Handelsregister B 2533 > Amtsgericht Düsseldorf > > Geschäftsführung > Prof. Dr. Jörg Neugebauer > Prof. Dr. Dierk Raabe > Prof. Dr. Martin Stratmann > Dipl.-Kfm. Herbert Wilk > > Ust.-Id.-Nr.: DE 11 93 58 514 > Steuernummer: 105 5891 1000 > ------------------------------------------------- > <line_av.f> -- Emilio Artacho Department of Earth Sciences, University of Cambridge Downing Street, Cambridge CB2 3EQ, UK Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450 emi...@esc.cam.ac.uk, http://www.esc.cam.ac.uk/~emilio
