Thanks a ton sir. It works. *Mohammad Ubaid* *PhD Research Scholar* *Department of Physics* *Jamia Millia Islamia University* *New Delhi - 110025*
On Tue, Mar 12, 2019 at 6:35 PM Paolo Giannozzi <[email protected]> wrote: > "average.x" reads from terminal, so you may either type > $ average.x > ($ = prompt) followed by input data at the terminal; or redirect the input > from an existing file with the needed data: > $ average.x < some-file > where some-file exists and its content is: > 1 > bpcn.pot > 1.D0 > 1440 > 3 > 3.835000000 > > Reading from an empty file or using "average.x -in some-file-name" may > lead to the error you get > > Paolo > > On Tue, Mar 12, 2019 at 1:54 PM Ubaid Mohd <[email protected]> wrote: > >> Actually sir my input file is >> 1 >> bpcn.pot >> 1.D0 >> 1440 >> 3 >> 3.835000000 >> Before doing this I use the pp.in as: >> &inputpp >> outdir = 'BPC3N' >> prefix = 'bl' >> filplot = 'bpcn.pot' >> plot_num = 11 >> / >> &plot >> iflag = 3 >> output_format = 5 >> >> / >> it gave me bpcn.pot file >> >> *Mohammad Ubaid* >> *PhD Research Scholar* >> *Department of Physics* >> *Jamia Millia Islamia University* >> *New Delhi - 110025* >> >> >> On Tue, Mar 12, 2019 at 5:23 PM Giovanni Cantele < >> [email protected]> wrote: >> >>> quite strange, the file looks ok, are you sure that this is just the >>> input you’re using? Maybe any special (hidden) character >>> is present in the file? >>> >>> I tried to run average.x with your input and it works, in that it passes >>> the line that gives you the error and of course complains >>> about the inexistent WS2.pot file (as it should do). >>> >>> Giovanni >>> >>> On 12 Mar 2019, at 12:41, Ubaid Mohd <[email protected]> wrote: >>> >>> Dear All QE Users, >>> >>> I am using the average.x now and the read the input file as follow : >>> >>> 1 >>> WS2.pot1.D0 >>> 1440 >>> 31.461144408 >>> >>> but when run this it has the follow error: >>> >>> Error in routine average (1): >>> nfile is wrong >>> >>> nfile should be right, I have read the source file, only when nfile <=0 >>> or >7 will show this error, but in my input file it is set to be 1. Would >>> you please give me some suggestion on what might be the issue? Thanks very >>> much. >>> >>> Best wishes >>> *Mohammad Ubaid* >>> *PhD Research Scholar* >>> *Department of Physics* >>> *Jamia Millia Islamia University* >>> *New Delhi - 110025* >>> _______________________________________________ >>> users mailing list >>> [email protected] >>> https://lists.quantum-espresso.org/mailman/listinfo/users >>> >>> >>> -- >>> >>> Giovanni Cantele, PhD >>> >>> CNR-SPIN >>> c/o Dipartimento di Fisica >>> Universita' di Napoli "Federico II" >>> Complesso Universitario M. S. Angelo - Ed. 6 >>> Via Cintia, I-80126, Napoli, Italy >>> >>> e-mail: [email protected] <[email protected]> >>> [email protected] >>> Phone: +39 081 676910 >>> Skype contact: giocan74 >>> Web page: https://sites.google.com/view/giovanni-cantele >>> >>> _______________________________________________ >>> users mailing list >>> [email protected] >>> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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