Re: [QE-users] Cholesky Decomposition Error

Dear Antoine DESCRIPTION OF ITEMS: + Card's flags: { alat | bohr | angstrom | crystal | crystal_sg } Default:(DEPRECATED) alat Description: Units for ATOMIC_POSITIONS

[QE-users] Cholesky Decomposition Error

Hello, I am trying to perform a scf calculation for a high entropy oxide, but I keep running into the following error: Error in routine pdpotrf (1): problems computing cholesky decomposition I have tried a couple of things to no avail: -Increasing the ecutwfc to 75 -Changing the diagonalization