Dear pwscf users I want to use a slab of X*Y dimensions where X is 3 times larger than Y. I know that for a slab geometry, 1 k-point is used in z-direction. Can we use 1 k-point for one dimension of a unit cell like above. The Y dimension of the above said unit cell is larger than X but both X and Y are periodic.
Thank you Regards -- Manjusha Research Scholar Department of Chemistry Indian Institute of Technology, Kanpur U.P., India _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
