Potassium atom ground state energy
Posted: Tue Jan 22, 2013 6:52 am
I wanted to calculate the cohesive energy of potassium. For that I obtained the energy for various lattice paramters. I saw in the manual that atomic spin polarization correction has to be added to get the actual cohesive energy. But when I am doing atomic calculation with lattice parameter 14 (Ang) as given in the manual, VASP is giving SEGMENTATION FAULT. I am using VASP5.2.12 and K_sv_GW potential. Can anyone help me solve the problem?