Dear Dev, dev sharma wrote: > hi 2 all, > I am trying to plot the charge density with the XCrysden, but when i am > opening's XSF(file--> open structure--> open XSF(xcryden structure > file)) file , generated by my calculations, it is showing the structure > of my system. And i am not getting the option tools--> DATA GRID as > ready. Please help or advice ?? Thankful to all of you. What i did is > listed below.
Have you had a look inside your .xsf file? How does it look? Does it actually contain the DATAGRID block? Is it complete? Please supply more information! Regards, GS > I run my input file with command > /home/physics/espresso-4.0.2/bin/pp.x <density.inp> density.xsf > and inputs of density.in <http://density.in> are > &inputpp > prefix = 'yvo' > outdir = '/home/physics/work/yvo/temp/', > filplot = 'yvocharge' > plot_num= 0 > / > &plot > nfile = 1 > filepp(1) = 'yvocharge' > weight(1) = 1.0 > iflag = 3 > output_format = 5, > / > > with regards, > Dev Sharma, > University of Delhi, > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o