[Pw_forum] Formatting discrepancy in pdos file headers

Eric Glen Suter esuter at uga.edu
Mon May 16 22:54:07 CEST 2016


Hi all,


I think I've found something of a small glitch when executing projwfc.x in QE version 5.2.1


To clarify, the program executes successfully but the headers of the files produced by the executable don't appear on the same line. This causes issues when I try to run sumpdos.x as it can't read the appropriate header line and throws me an error:


  ******************************************************************************

     from sumpdos : error #         1

     reading first line in undoped.pdos_atm#2(K)_wfc#1(s)

 ******************************************************************************


Attached are two files showing the small discrepancy. I figure this must be a small formatting error when the program writes to those files, but I can't seem to find the line where it occurs to fix it. I apologize in advance for such a trivial question, but any help at all would be greatly appreciated.


Best regards,

Eric Suter

University of Georgia

Department of Physics and Astronomy
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