Package: wnpp Severity: wishlist * Package name : pslibrary Version : 1.0.0 Upstream Author : Andrea Dal Corso * URL : https://dalcorso.github.io/pslibrary/ * License : GPL-2+ Description : library of ultrasoft and PAW pseudopotentials
PSlibrary is a library of scalar relativistic and fully relativistic PAW data sets and ultrasoft pseudopotentials for many elements in Unified Pseudopotential Format (UPF). PSlibrary paper [1] is widely cited (with ~60 citations during year 2018) [2]. The package consists of pseudopotentials built using Quantum ESPRESSO from upstream-supplied inputs, resulting in ~3 GB of pseudopotential files (~700 MB when compressed). I plan to maintain the package inside the Debichem team. [1] http://authors.elsevier.com/sd/article/S0927025614005187 [2] https://scholar.google.lt/scholar?as_ylo=2018&hl=en&as_sdt=2005&sciodt=0,5&cites=8672732540737765863&scipsc= -- Andrius Merkys Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325 LT-10257 Vilnius, Lithuania
