Re: [QE-users] difference between the internal PBE and the libxc one

2023-08-11 Thread Fabrizio Ferrari Ruffino
nce between the internal PBE and the libxc one Dear all, I'm currently facing an issue with the use of Libxc for PBE calculations in Quantum ESPRESSO. I'm noticing a significant discrepancy in results when comparing the internal PBE functional (input_dft = "PBE") to us

Re: [QE-users] difference between the internal PBE and the libxc one

2023-08-11 Thread Ayoub Aouina
nce between the internal PBE and the libxc one Dear all, I'm currently facing an issue with the use of Libxc for PBE calculations in Quantum ESPRESSO. I'm noticing a significant discrepancy in results when comparing the internal PBE functional (|input_dft = "PBE"|) to u