compile VASP ncl AND gam
Posted: Fri Jul 16, 2021 9:20 pm
I am currently calculating spin orbit coupling (SOC) calculations for a system where only one gamma point is required.
SOC calculations require the use of the vasp_ncl executable, which is not optimized for gamma-only calculations. I was wondering whether it is possible to compile a vasp_gam_ncl version of VASP.
Thank you for your help!
SOC calculations require the use of the vasp_ncl executable, which is not optimized for gamma-only calculations. I was wondering whether it is possible to compile a vasp_gam_ncl version of VASP.
Thank you for your help!