Hello kulwinder, Can you post the content of your input file please? Thank you.
Regards, Elliot. On 03/01/2014 07:26 AM, kulwinder kaur wrote: > hello xcrysden and QE user > > my input file of QE is not open with xcrysden. when i open my input > file with xcrysden the following error occur > > wrong # args: should be "pwInputPreset file" > wrong # args: should be "pwInputPreset file" > while executing > "pwInputPreset /home/satnam/Desktop/calculation /new mg2si/new > mg/mg.scf.in <http://mg.scf.in>" > ("eval" body line 1) > invoked from within > "eval $preset $file" > (procedure "openExtStruct" line 106) > invoked from within > "openExtStruct 3 crystal external {sh > /usr/share/xcrysden/scripts/pwi2xsf.sh} pwi2xsf.xsf_out {PWSCF Input > File} ANGS -preset pwInputPreset" > invoked from within > ".menu.vmfile.menu.pwscf invoke active" > ("uplevel" body line 1) > invoked from within > "uplevel #0 [list $w invoke active]" > (procedure "tk::MenuInvoke" line 50) > invoked from within > "tk::MenuInvoke .menu.vmfile.menu.pwscf 1" > (command bound to event) > > plz tell me where is problem ? input file or xcrysden > > > -- > Regards > kulwinder kaur > physics department > panjab university chandigarh (india) > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Elliot S. Menkah Research Student - Computational Chemistry/ Computational Material Science Theoretical and Computational Chemistry Dept. of Chemistry Kwame Nkrumah UNiversity of Sci. and Tech. Kumasi Ghana Tel: +233 243-055-717 Alt Email: elliotsmenkah at gmail.com elliotsmenkah at hotmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140301/f13f480a/attachment.html