set RWIGS

Message

lsam · #1 Post by **lsam** » Tue Dec 04, 2007 6:01 pm

Dear VASP users,

I am using VASP with PAW pseudopotencials for TiCO .I would like to know what happens if I do not set the RWIGS values in the INCAR file alloys? Should I set the RWIGS values?

I observed that if I do not set the RWIGS in the INCAR file, VASP set the RWIGS to -1 in the OUTCAR.
...
Atomic Wigner-Seitz radii
RWIGS = -1.00 -1.00 -1.00
...

Best Regards

#2 Post by **admin** » Wed Dec 05, 2007 12:26 pm

if you use the PAW PPs, you do not have to set RWIGS explicitely, it is taken from POTCAR by default. please ignore the -1 when using PAW PPs.