[QE-users] About SOC included Ultrasoft Pseudopotential

[柯莫]

Dear QE Users and Developers,

I have been involving in working with mixed-basis approach for the
first-principles calculations of 2D systems by expanding the
wavefunction along the periodic directions with plane waves but, for
the finite non-periodic direction, with localized basis of  B-splines.
we use ultrasoft pseudopotential for our work. For the study of
transition metal dichalcogendies, we need to include spin-orbit
coupling. Unfortunately, in Vanderbilt uspp can not be used for
relativistic calculation. I want to use UPF format of pseudopotential
that includes relativistic USPP.

Is there any tool that can convert UPF format to USPP. (Isaw only USPP
to UPF in upftools of quantum espresso) or simply read the parameters
as in USPP input.


-- 
Raj Kumar Paudel (Raj)
Graduate Student

Research Center for Applied Sciences,
516B Room, 5F, Interdisciplinary Research Building for Science and
Technology, Academia Sinica,
128 Academia Road, Section 2, Nankang, Taipei 115, Taiwan, R.O.C.

Cell: +886-966-440-750
Office: +886-2-2787-3196
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