[QE-users] XC functional

[Offermans Willem]

Dear Quantum Espresso friends,

I’m relatively new to QE. So sorry for a possible stupid question, but what does

Exchange-correlation      = SLA PW PBX PBC ( 1  4  3  4 0 0)

in the output mean?

The PAW data set says:

H.pbe-kjpaw_psl.1.0.0.UPF

So, I assumed PBE to be exchange–correlation functional.



Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

Willem.Offermans at Vito.be<mailto:Willem.Offermans at Vito.be>

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