hi 2 all,<br> 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.<br>
I run my input file with command <br>/home/physics/espresso-4.0.2/bin/pp.x <density.inp> density.xsf<br>and inputs of <a href="http://density.in">density.in</a> are<br> &inputpp<br> prefix = 'yvo'<br>
outdir = '/home/physics/work/yvo/temp/',<br>filplot = 'yvocharge'<br> plot_num= 0<br> /<br> &plot<br> nfile = 1<br> filepp(1) = 'yvocharge'<br> weight(1) = 1.0<br> iflag = 3<br> output_format = 5,<br>
/<br><br>with regards,<br>Dev Sharma,<br>University of Delhi,<br>