Accidentally I had NPAR = 2 in my INCAR file, while also wanting to
calculate the PDOS with LORBIT = 1. However, at the very end of the
calculation, I got the warning that PDOS cannot be generated:
Code: Select all
The partial DOS and the PROCAR file are not evaluated for NPAR/=1
please rerun with NPAR=1
would be nice if this warning is given at the very beginning of the
calculation, instead of at the end.
Regards,
Rob.