Dear All, I want to calculate the Palladium system using GGA/PBE of siesta. I tried many times to generate GGA/PBE pseudopotentials of Pd using ATOM utility. But none of them can yield consistent cohesive energy of bulk Pd (3.89 eV) of experimental value.
There is a well-tested LDA/CA pps at SIESTA official website. Can I just use that pps for GGA calculation? Or, could anybody kindly tell me how can I get a good GGA/PBE pps? Any suggestions or solutions would be greatly appreciated. Thanks in advance. C. Zhou
