[QE-users] K-Point Grid for Larger Crystals

Hi Everyone, I just wanted to ask about the sort of k-point grids one would use for larger crystals (about 20 basis atoms). I've tried experimenting with different k-point densities with the crystal Co3Sn2S2 (7 basis atoms), and found that increasing the k-point grid density for scf calculations d

[QE-users] Slab relaxation : WARNING: bfgs curvature condition failed, Theta= 0.966

Dear allDuring relaxation of Ni5P4 slab i got two warnings as following: "WARNING: bfgs curvature condition failed, Theta= 0.966.why do i get this warning ? is it harmful ? will it affect the accuracy of my results ?does it have something to do with the forces ? because forces are oscillating , w