[Pw_forum] Fwd: Error in executing projwfc.x

Lucian Filip lucian.filip at live.co.uk
Sun Dec 22 21:47:02 CET 2013

Dear Manu,
Let me add my two cents here and start by asking what program are you using to create your input file? Is it a program running on a windows operating system like notepad or notepad++? Because I was getting the same error and after many tries I realised that the problem was due to the way the line ends in linux or windows (which is different). While the file looks the same, there are some invisible characters at the end of the line that will prevent the program from recognising the input file properly. This was the reason for the error in my case!
Good luck,

Dr. Lucian Dragos FilipNational Institute of Materials PhysicsAtomistilor str. 105 bis
PO Box MG. 7
Magurele, 077125
BucharestRomaniaE-mail:   lucian.filip at infim.roWebsite: http://lucianfilip.wordpress.com

From: mhegde at uwaterloo.ca
Date: Fri, 20 Dec 2013 22:21:25 -0500
To: pw_forum at pwscf.org
Subject: [Pw_forum] Fwd: Error in executing projwfc.x


I am geting error while executing projwfc.x. I could not see any mistakes in my input file. Please have a look at my both input and output file,

                      prefix = 'ganband' ,                      outdir = '/home/owner/' ,

                     filpdos = 'ganbandprojwfc' ,                     filproj = 'ganbandprojwfc' ,

                      ngauss = 0 ,                     degauss = 0.01 ,
                      DeltaE = 0.01 ,                        lsym = 1 ,
                kresolveddos = 1 ,                        Emin = -20 ,
                        Emax = 20 , /

Output file is,

     Program PROJWFC v.5.0.2 (svn rev. 9392) starts on 20Dec2013 at 20:53:41 

     This program is part of the open-source Quantum ESPRESSO suite     for quantum simulation of materials; please cite

         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);          URL http://www.quantum-espresso.org", 

     in publications or presentations arising from this work. More details at     http://www.quantum-espresso.org/quote.php

     Serial version*** namelist &inputpp no longer valid: please use &projwfc instead

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%     Error in routine do_projwfc (5010):

     reading projwfc namelist %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

Please have a look,

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