Just to clarify, siesta does use relativistic pseudos. E On May 5, 2015, at 11:18 AM, Mostafa Shabani wrote:
> Dear Mohammad > As I know siesta doesn't employ relativistic pseudo potential. You can use > openMX pseudo potential. > > در تاریخ 4 مهٔ 2015 19:58، "Seyed Mohammad Tabatabaei" <[email protected]> > نوشت: > Dear all, > > I would be really grateful if anyone can provide me with the relativistic > pseudo potential files for Mo and S that give a direct band gap for monolayer > MoS2. The input files for the ATOM program are also deeply appreciated. > > Bests, > Mohammad, -- Emilio Artacho CIC nanoGUNE Consolider, and Cavendish Laboratory, University of Cambridge Tolosa Hiribidea 76, E-20018 Donostia - San Sebastián, Spain, [email protected], +34 943 574039, http://theory.nanogune.eu
