Dear Everyone, I am looking for the paw potential for C atom with the PBE as XC function, can anyone tell me how can I get such a potential? On the other hand, I googled the forum and somebody said the choice of potential has no react to the result of binding energy, does that mean whether I choose paw or normal potential, the result is the same? Third problem, is the K point's setting has influence on the calculation of binding energy? I found on this forum Dr. Nicola said he would set the k point as gamma for all the calculations, but in all the paper I read they use settings as 1*1*13 or something like that. Thank you. Best regards.
Chengyu Yang MMAE,University of Central Florida, US