Hi there, I am not much familar with xcrysden. I wanted to make a supercell in xcrysden with a certain cell_parametrs (in put file of scf calculation in quantum espresso), but on going to option 'Modify' and then try to draw the number of units to 3 along y and z axis. It shows me that certain number of atoms are being deleted. I have checked the cell_parameter by changing the cell_parameter , but not much help. Kindly help ! Thanks
Shaptarishi Msc (Physics) Pune -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100331/de72fcc4/attachment.htm
