Ian, Are you using the PBSsol as your XC functional inside the fdf file? Ususlly this kind of warning is trying to tell you that your pseudo has been generated with a different XC functional than that which you are using for your DFT calculation, which can be rather messy.
Marcos On Sat, Feb 5, 2011 at 11:30 AM, Ian Shuttleworth < [email protected]> wrote: > Siesterers, > > I'm running simulations using pseudopotentials generated using PBEsol > scheme, generated by the version of ATOM that comes bundled with > SIESTA 3.0 b. > > Using this version of siesta, I noticed in the .OUT file: > > xc_check: Exchange-correlation functional: > xc_check: GGA Perdew, Burke & Ernzerhof 1996 > xc_check: WARNING: Pseudopotential generated with GGA PBEsol functional > > Is this telling me that 3.0 b can work with PBEsol? > > With thanks > > Ian Shuttleworth >
