Add SSSP v1.3.0 (#15)

Co-authored-by: Michael F. Herbst <info@michael-herbst.com>

Author: azadoks

README.md

@@ -142,6 +142,29 @@ and
 * `n_valence_electrons`: Number of valence electrons
 * `cp2k_filename`: The original file name used in the CP2K pseudopotential data repository.
 
+### [SSSP pseudopotentials](https://materialscloud.org/discover/sssp) (prefixed sssp)
+
+A mix of norm-conserving, ultrasoft, and PAW pseudopotentials.
+
+```
+G. Prandini, A. Marrazzo, I. E. Castelli, N. Mounet, N. Marzari,
+Precision and efficiency in solid-state pseudopotential calculations,
+npj Computational Materials,
+Volume 4,
+2018,
+https://doi.org/10.1038/s41524-018-0127-2
+```
+
+**Script.** The SSSP pseudopotentials have been added by running the script
+```sh
+julia --project=scripts scripts/add_sssp.jl pseudos
+```
+
+**Collection-specific metadata.** Contains the following element-specific metadata:
+* `sssp_md5`: The md5 hash of the pseudopotential file.
+* `sssp_pseudopotential`: Original collection from which the pseudopotential was taken.
+* `sssp_filename`: Original filename in the source family and consequently the SSSP.
+
 ### [SPMS potentials](https://github.com/SPARC-X/SPMS-psps) (prefixed spms)
 
 Norm-conserving potentials for PBE obtained by an evolutionary Pareto optimization.

pseudos/sssp.mixed.sr.pbe.v1_3_0.efficiency.upf/Ac.toml

@@ -0,0 +1,5 @@
+sssp_pseudopotential = "100US"
+Ecut = 20.0
+supersampling = 2.8284271247461903
+sssp_filename = "Ac.us.z_11.ld1.psl.v1.0.0-high.upf"
+sssp_md5 = "3a78bb30464666358a3ec0edb47f6656"

pseudos/sssp.mixed.sr.pbe.v1_3_0.efficiency.upf/Ac.upf

@@ -0,0 +1,5 @@
+sssp_pseudopotential = "SG15"
+Ecut = 25.0
+supersampling = 2.0
+sssp_filename = "Ag_ONCV_PBE-1.0.oncvpsp.upf"
+sssp_md5 = "94f47bd0669c641108e45594df92fabc"

pseudos/sssp.mixed.sr.pbe.v1_3_0.efficiency.upf/Ag.toml

@@ -0,0 +1,5 @@
+sssp_pseudopotential = "100PAW"
+Ecut = 15.0
+supersampling = 2.8284271247461903
+sssp_filename = "Al.pbe-n-kjpaw_psl.1.0.0.UPF"
+sssp_md5 = "cfc449ca30b5f3223ec38ddd88ac046d"

pseudos/sssp.mixed.sr.pbe.v1_3_0.efficiency.upf/Ag.upf

@@ -0,0 +1,5 @@
+sssp_pseudopotential = "MalteSachs"
+Ecut = 30.0
+supersampling = 2.8284271247461903
+sssp_filename = "Am.paw.z_17.ld1.uni-marburg.v0.upf"
+sssp_md5 = "b90604daea46e7f2635bfe47e71ce977"

pseudos/sssp.mixed.sr.pbe.v1_3_0.efficiency.upf/Al.toml

@@ -0,0 +1,5 @@
+sssp_pseudopotential = "SG15-1.1"
+Ecut = 30.0
+supersampling = 2.0
+sssp_filename = "Ar_ONCV_PBE-1.1.oncvpsp.upf"
+sssp_md5 = "46d28409cdd246843f76b7675277a949"