The fhi2upf is a conversion tool for pseudopotentials. It allows to convert a file given in the fhi98PP format into the upf format used by Spinor. Download the source file
fhi2upf.c and compile on your platform. To convert file.fhi into file.upf type:
The fhi2upf program will ask a couple of questions that need to be answered during its execution:
fhi2upf file.cpi file.upf
name: a string that will be printed by Spinor (just for human use)
rel_flag: always choose 0 (nrl) when converting original fhi98PP files
l_loc: select the local component for the pseudopotential. The design option will allow you to use optimized local parts. Modify the code (fhi2upf.c) to match your needs.
fix_fhi98pp_nlcc: this only occurs when non-linear core corrections are used. Choose 1 (yes) in order to fix a problem with the fhi09PP output.