> 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 _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
