[QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x

[Lorenzo Paulatto]

 > I am trying to calculate the U parameter for Ni in LiNiO2. The hp.x
 > (qe_6.5) runs without any error for the primitive cell, however the
 > "problems computing cholesky" error occurs for running a 2×2×1 supercell

The most likely cause is that you did a mistake in the atomic position 
or cell size.

kind regards



-- 
Lorenzo Paulatto - Paris