"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 <onlymub...@gmail.com> 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 < > giovanni.cant...@spin.cnr.it> 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 <onlymub...@gmail.com> 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 >> users@lists.quantum-espresso.org >> 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: giovanni.cant...@spin.cnr.it <giovanni.cant...@spin.cnr.it> >> gcant...@gmail.com >> Phone: +39 081 676910 >> Skype contact: giocan74 >> Web page: https://sites.google.com/view/giovanni-cantele >> >> _______________________________________________ >> users mailing list >> users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > 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
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