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. 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 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, -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090911/7f3604e4/attachment.htm
