[QE-users] Vanderbilt Pseudopotential generation issue

[Dr. K. C. Bhamu]

Dear QE users
I wanted to use the Vanderbilt Pseudopotential for my Ni based slab as
these are already used [1].
I have downloaded [2] the tar file and followed the instructions to
generate the PPs for Ni.
I got the unformatted PP (binary format) for Ni in Pot dir.
Now I need to use the reform.f program (from utility dir) to make them in a
usable format.
On top of this file, I see, I should define F77 but in the whole file, I
could not find where to define the F77.

Could someone please help me with this? How can I convert this binary
format of the Ni PP to uspp?

[1]. https://journals.aps.org/prb/pdf/10.1103/PhysRevB.101.195401
<https://journals.aps.org/prb/pdf/10.1103/PhysRevB.101.195401>
[2]. http://www.physics.rutgers.edu/~dhv/uspp/#DOWNLOAD

I use ifort2020 and I usually use below for the QE compilation.

 FOPTS= -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io -I$(MKLROOT)/include



Thank you very much
K.C. Bhamu
University of Ulsan
ROK
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