HI Lucian, Thanks for your advice. I will try to create input file with text editor. Also recently I have posted error in bands.x. If you give some suggestions, that would be grateful!
Manu On Mon, Dec 23, 2013 at 5:01 AM, Lucian Filip <lucian.filip at live.co.uk>wrote: > Dear Manu, > > This is what worked for me: I created the input file from a bash script > (like all the examples in QE) and that was it, but it works if you use a > linux text editor too. > > So I think you should recheck the syntax of your input file (like Paolo > said, it should be lsym=.true. not lsym=1, so use the documentation for > projwfc.x on the QE site!) and instead of using PWGUI, just use vim or some > other text editor in linux and write the input file yourself and see if it > works (I think it will if there aren't any other errors). While debugging > this problem I also realised that a good formatting of the input file > matters (not sure for projwfc.x but for pw.x) so I would also be careful > about that too. > > Good luck, > > Lucian > > *Dr. Lucian Dragos Filip* > > *National Institute of Materials Physics* > > > > > *Atomistilor str. 105 bisPO Box MG. 7Magurele, 077125Bucharest* > > *Romania* > > *E-mail: **lucian.filip at infim.r <l.filip at surrey.ac.uk>o* > > *Website: **http://lucianfilip.wordpress.com > <http://lucianfilip.wordpress.com/>* > > > ------------------------------ > From: mhegde at uwaterloo.ca > Date: Sun, 22 Dec 2013 17:58:45 -0500 > To: pw_forum at pwscf.org > Subject: Re: [Pw_forum] Fwd: Error in executing projwfc.x > > > Hello Lucian, > > I am using PWGUI to generate the input file on Linux platform. Thanks for > the information. > Regards, > Manu > > > On Sun, Dec 22, 2013 at 3:47 PM, Lucian Filip <lucian.filip at > live.co.uk>wrote: > > 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, > > Lucian > > *Dr. Lucian Dragos Filip* > > *National Institute of Materials Physics* > > > > > *Atomistilor str. 105 bisPO Box MG. 7Magurele, 077125Bucharest* > > *Romania* > > *E-mail: **lucian.filip at infim.r <l.filip at surrey.ac.uk>o* > > *Website: **http://lucianfilip.wordpress.com > <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 > > > > > Hello, > 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, > > &PROJWFC > 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, > > Regards, > Manu > > > _______________________________________________ Pw_forum mailing list > Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ Pw_forum mailing list > Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131223/e0b51330/attachment.html
