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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