Re: [Wien] Mapping primitive cell reciprocal vectors to the conventional cell

Dear Priyanka, I think what you want to do can all be done by using the tool Xcrysden which can read the WIEN2k struct files. In the menu of "Display", you can choose primitive cell or conventional cell based on your requirements. Besides, you can use the menu "Tools" to determine the k-path. Pl

[Wien] Mapping primitive cell reciprocal vectors to the conventional cell

Hello, I am trying to post-process/visualize my results outside WIEN2K and for this I need data on the k-mesh of the conventional unit cell. I understand from the manual and the mailing list that different structures use either conventional or primitive reciprocal lattice vectors. I am studyi