[Pw_forum] Bug, possibly

Sencer Selcuk sselcuk at princeton.edu
Wed Feb 5 22:49:04 CET 2014

Dear QE users,

I had some problems trying to plot HOMO/LUMO using pp.x of 5.0.3. Other properties such as charge density and potential are successfully calculated after doing the fix at http://qe-forge.org/gf/project/q-e/tracker/?action=TrackerItemEdit&tracker_item_id=99. However plot_num = 7 for the wave function repeatedly gave "pw.x run with a different number of procs" error though I used wfcollect. I decided to comment out relevant lines in postproc.f90, and everything worked as expected. I assume there is a bug causing this, but I couldn't find any report or email regarding the issue---and here it is.



Ph. D. Student 
Princeton University

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